USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1056 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 252 SER OG : rot 180:sc= -0.0224 USER MOD Set 1.2: B 256 SER OG : rot 114:sc= 0.923 USER MOD Set 2.1: A 102 MET CE :methyl 152:sc= -0.253 (180deg=-0.985) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.259 X(o=-0.51,f=-0.55) USER MOD Set 3.1: A 69 SER OG : rot -119:sc= 1.22 USER MOD Set 3.2: A 70 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.11) USER MOD Set 4.1: A 2 SER OG : rot -48:sc= 0.915! USER MOD Set 4.2: A 3 HIS : no HE2:sc= 0.13 K(o=1,f=-5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.11 F(o=-5.9!,f=-0.11) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 140:sc= 1.08 USER MOD Single : A 32 THR OG1 : rot 90:sc= 0.0964 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.583) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -24:sc= 1.21 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 2.28 (180deg=2.15) USER MOD Single : A 49 GLN : amide:sc= -0.683 X(o=-0.68,f=-1.1) USER MOD Single : A 51 THR OG1 : rot -50:sc= -1.22 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 140:sc= 0.0999 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.0446 (180deg=-0.253) USER MOD Single : A 58 MET CE :methyl 180:sc= -0.0216 (180deg=-0.0216) USER MOD Single : A 59 MET CE :methyl -107:sc= -0.624 (180deg=-3.34!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 2.4 (180deg=2.4) USER MOD Single : A 71 LYS NZ :NH3+ -161:sc= -0.0364 (180deg=-0.384) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0309) USER MOD Single : A 75 ASN : amide:sc= 1.02 K(o=1,f=-0.017) USER MOD Single : A 78 ASN : amide:sc= -2.08 K(o=-2.1,f=-21!) USER MOD Single : A 83 LYS NZ :NH3+ 168:sc=-0.00964 (180deg=-0.149) USER MOD Single : A 85 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.0604 F(o=-0.91,f=-0.06) USER MOD Single : A 88 MET CE :methyl -155:sc= -1.87 (180deg=-4.05!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 93 ASN : amide:sc= -1.04 K(o=-1,f=-14!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -165:sc= -1.57 (180deg=-3) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.969 F(o=-2.3!,f=-0.97) USER MOD Single : A 101 LYS NZ :NH3+ -116:sc= 1.12 (180deg=-1.73!) USER MOD Single : A 103 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 105 GLN : amide:sc= -2.77 K(o=-2.8,f=-6.3!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 112 LYS NZ :NH3+ 169:sc= 0.623 (180deg=0.263) USER MOD Single : B 246 TYR OH : rot 180:sc= 0 USER MOD Single : B 250 MET CE :methyl -144:sc= -0.347 (180deg=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 19.215 -3.555 1.644 1.00 2.67 N ATOM 2 CA PRO A 1 18.250 -4.676 1.588 1.00 2.00 C ATOM 3 C PRO A 1 17.048 -4.379 2.475 1.00 1.62 C ATOM 4 O PRO A 1 17.050 -3.368 3.175 1.00 2.41 O ATOM 5 CB PRO A 1 18.942 -5.950 2.041 1.00 2.55 C ATOM 6 CG PRO A 1 20.377 -5.563 2.092 1.00 3.07 C ATOM 7 CD PRO A 1 20.403 -4.074 2.347 1.00 3.14 C ATOM 0 H2 PRO A 1 18.818 -2.756 2.139 1.00 2.67 H new ATOM 0 H3 PRO A 1 19.457 -3.235 0.706 1.00 2.67 H new ATOM 0 HA PRO A 1 17.895 -4.803 0.565 1.00 2.00 H new ATOM 0 HB2 PRO A 1 18.580 -6.280 3.015 1.00 2.55 H new ATOM 0 HB3 PRO A 1 18.771 -6.770 1.343 1.00 2.55 H new ATOM 0 HG2 PRO A 1 20.898 -6.103 2.883 1.00 3.07 H new ATOM 0 HG3 PRO A 1 20.879 -5.806 1.156 1.00 3.07 H new ATOM 0 HD2 PRO A 1 20.360 -3.854 3.414 1.00 3.14 H new ATOM 0 HD3 PRO A 1 21.318 -3.622 1.965 1.00 3.14 H new ATOM 17 N SER A 2 16.036 -5.261 2.411 1.00 0.89 N ATOM 18 CA SER A 2 14.765 -5.162 3.166 1.00 0.52 C ATOM 19 C SER A 2 13.942 -3.929 2.783 1.00 0.49 C ATOM 20 O SER A 2 12.725 -4.010 2.626 1.00 1.09 O ATOM 21 CB SER A 2 14.970 -5.210 4.692 1.00 0.74 C ATOM 22 OG SER A 2 15.707 -4.103 5.184 1.00 1.40 O ATOM 0 H SER A 2 16.076 -6.089 1.816 1.00 0.89 H new ATOM 0 HA SER A 2 14.198 -6.047 2.877 1.00 0.52 H new ATOM 0 HB2 SER A 2 13.998 -5.240 5.184 1.00 0.74 H new ATOM 0 HB3 SER A 2 15.489 -6.132 4.955 1.00 0.74 H new ATOM 0 HG SER A 2 16.506 -3.971 4.633 1.00 1.40 H new ATOM 28 N HIS A 3 14.608 -2.801 2.613 1.00 0.35 N ATOM 29 CA HIS A 3 13.951 -1.551 2.279 1.00 0.24 C ATOM 30 C HIS A 3 13.809 -1.422 0.765 1.00 0.16 C ATOM 31 O HIS A 3 13.675 -0.330 0.229 1.00 0.19 O ATOM 32 CB HIS A 3 14.758 -0.369 2.825 1.00 0.32 C ATOM 33 CG HIS A 3 14.816 -0.285 4.323 1.00 0.71 C ATOM 34 ND1 HIS A 3 15.267 -1.311 5.132 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.484 0.727 5.161 1.00 1.43 C ATOM 36 CE1 HIS A 3 15.205 -0.931 6.394 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.735 0.299 6.439 1.00 1.85 N ATOM 0 H HIS A 3 15.621 -2.726 2.703 1.00 0.35 H new ATOM 0 HA HIS A 3 12.960 -1.545 2.732 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.775 -0.433 2.439 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.328 0.555 2.440 1.00 0.32 H new ATOM 0 HD1 HIS A 3 15.596 -2.219 4.805 1.00 1.12 H new ATOM 0 HD2 HIS A 3 14.094 1.692 4.875 1.00 1.43 H new ATOM 0 HE1 HIS A 3 15.491 -1.528 7.247 1.00 1.64 H new ATOM 46 N SER A 4 13.845 -2.553 0.093 1.00 0.14 N ATOM 47 CA SER A 4 13.769 -2.607 -1.359 1.00 0.13 C ATOM 48 C SER A 4 13.412 -4.028 -1.793 1.00 0.15 C ATOM 49 O SER A 4 13.721 -4.992 -1.089 1.00 0.24 O ATOM 50 CB SER A 4 15.095 -2.166 -1.989 1.00 0.17 C ATOM 51 OG SER A 4 16.177 -2.943 -1.506 1.00 0.95 O ATOM 0 H SER A 4 13.928 -3.468 0.537 1.00 0.14 H new ATOM 0 HA SER A 4 12.994 -1.921 -1.702 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.034 -2.258 -3.073 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.273 -1.114 -1.768 1.00 0.17 H new ATOM 0 HG SER A 4 17.010 -2.641 -1.926 1.00 0.95 H new ATOM 57 N GLY A 5 12.750 -4.154 -2.929 1.00 0.14 N ATOM 58 CA GLY A 5 12.349 -5.455 -3.422 1.00 0.15 C ATOM 59 C GLY A 5 11.599 -5.329 -4.727 1.00 0.15 C ATOM 60 O GLY A 5 10.898 -4.348 -4.940 1.00 0.16 O ATOM 0 H GLY A 5 12.480 -3.372 -3.525 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.229 -6.082 -3.563 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.720 -5.950 -2.683 1.00 0.15 H new ATOM 64 N ALA A 6 11.745 -6.304 -5.603 1.00 0.16 N ATOM 65 CA ALA A 6 11.130 -6.230 -6.919 1.00 0.17 C ATOM 66 C ALA A 6 9.642 -6.591 -6.859 1.00 0.21 C ATOM 67 O ALA A 6 9.284 -7.723 -6.523 1.00 0.43 O ATOM 68 CB ALA A 6 11.850 -7.141 -7.892 1.00 0.21 C ATOM 0 H ALA A 6 12.281 -7.154 -5.431 1.00 0.16 H new ATOM 0 HA ALA A 6 11.215 -5.201 -7.269 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.377 -7.073 -8.872 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.894 -6.837 -7.971 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.798 -8.169 -7.534 1.00 0.21 H new ATOM 74 N ALA A 7 8.782 -5.639 -7.203 1.00 0.11 N ATOM 75 CA ALA A 7 7.337 -5.845 -7.131 1.00 0.12 C ATOM 76 C ALA A 7 6.666 -5.556 -8.463 1.00 0.12 C ATOM 77 O ALA A 7 7.175 -4.803 -9.282 1.00 0.13 O ATOM 78 CB ALA A 7 6.709 -4.967 -6.058 1.00 0.12 C ATOM 0 H ALA A 7 9.059 -4.715 -7.535 1.00 0.11 H new ATOM 0 HA ALA A 7 7.182 -6.893 -6.876 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.634 -5.142 -6.028 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.144 -5.210 -5.088 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.900 -3.919 -6.288 1.00 0.12 H new ATOM 84 N ILE A 8 5.514 -6.157 -8.653 1.00 0.15 N ATOM 85 CA ILE A 8 4.694 -5.933 -9.830 1.00 0.19 C ATOM 86 C ILE A 8 3.641 -4.890 -9.496 1.00 0.22 C ATOM 87 O ILE A 8 2.835 -5.084 -8.587 1.00 0.26 O ATOM 88 CB ILE A 8 3.993 -7.239 -10.300 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.985 -8.278 -10.857 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.936 -6.923 -11.341 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.968 -8.828 -9.846 1.00 0.25 C ATOM 0 H ILE A 8 5.113 -6.822 -7.991 1.00 0.15 H new ATOM 0 HA ILE A 8 5.338 -5.591 -10.640 1.00 0.19 H new ATOM 0 HB ILE A 8 3.524 -7.680 -9.421 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.419 -9.108 -11.280 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.544 -7.823 -11.675 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.453 -7.846 -11.661 1.00 0.29 H new ATOM 0 HG22 ILE A 8 2.191 -6.254 -10.911 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.404 -6.441 -12.200 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.624 -9.551 -10.332 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.566 -8.012 -9.439 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.424 -9.317 -9.038 1.00 0.25 H new ATOM 103 N PHE A 9 3.661 -3.783 -10.212 1.00 0.28 N ATOM 104 CA PHE A 9 2.744 -2.695 -9.937 1.00 0.34 C ATOM 105 C PHE A 9 1.868 -2.424 -11.152 1.00 0.46 C ATOM 106 O PHE A 9 2.315 -1.818 -12.122 1.00 0.52 O ATOM 107 CB PHE A 9 3.527 -1.441 -9.535 1.00 0.35 C ATOM 108 CG PHE A 9 2.684 -0.221 -9.280 1.00 0.40 C ATOM 109 CD1 PHE A 9 2.010 -0.065 -8.081 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.586 0.778 -10.233 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.250 1.064 -7.840 1.00 0.45 C ATOM 112 CE2 PHE A 9 1.827 1.905 -9.999 1.00 0.56 C ATOM 113 CZ PHE A 9 1.158 2.049 -8.800 1.00 0.52 C ATOM 0 H PHE A 9 4.301 -3.614 -10.988 1.00 0.28 H new ATOM 0 HA PHE A 9 2.095 -2.976 -9.108 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.101 -1.662 -8.635 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.244 -1.211 -10.323 1.00 0.35 H new ATOM 0 HD1 PHE A 9 2.079 -0.834 -7.326 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.110 0.673 -11.171 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.729 1.174 -6.901 1.00 0.45 H new ATOM 0 HE2 PHE A 9 1.756 2.675 -10.753 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.564 2.932 -8.615 1.00 0.52 H new ATOM 123 N GLU A 10 0.623 -2.889 -11.088 1.00 0.58 N ATOM 124 CA GLU A 10 -0.330 -2.758 -12.192 1.00 0.73 C ATOM 125 C GLU A 10 0.123 -3.563 -13.399 1.00 0.64 C ATOM 126 O GLU A 10 0.292 -3.031 -14.496 1.00 0.67 O ATOM 127 CB GLU A 10 -0.537 -1.302 -12.590 1.00 0.87 C ATOM 128 CG GLU A 10 -1.006 -0.420 -11.452 1.00 0.98 C ATOM 129 CD GLU A 10 -1.385 0.970 -11.918 1.00 1.21 C ATOM 130 OE1 GLU A 10 -0.486 1.730 -12.342 1.00 1.25 O ATOM 131 OE2 GLU A 10 -2.581 1.323 -11.851 1.00 1.46 O ATOM 0 H GLU A 10 0.244 -3.367 -10.271 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.283 -3.152 -11.839 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.399 -0.906 -12.983 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.267 -1.256 -13.398 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.864 -0.884 -10.966 1.00 0.98 H new ATOM 0 HG3 GLU A 10 -0.217 -0.347 -10.704 1.00 0.98 H new ATOM 138 N LYS A 11 0.344 -4.844 -13.156 1.00 0.58 N ATOM 139 CA LYS A 11 0.611 -5.833 -14.206 1.00 0.55 C ATOM 140 C LYS A 11 1.999 -5.691 -14.832 1.00 0.49 C ATOM 141 O LYS A 11 2.387 -6.504 -15.672 1.00 0.56 O ATOM 142 CB LYS A 11 -0.477 -5.795 -15.281 1.00 0.65 C ATOM 143 CG LYS A 11 -1.865 -5.955 -14.696 1.00 0.74 C ATOM 144 CD LYS A 11 -2.044 -7.292 -14.019 1.00 1.29 C ATOM 145 CE LYS A 11 -2.853 -7.148 -12.754 1.00 1.32 C ATOM 146 NZ LYS A 11 -2.721 -8.333 -11.864 1.00 1.91 N ATOM 0 H LYS A 11 0.345 -5.239 -12.215 1.00 0.58 H new ATOM 0 HA LYS A 11 0.593 -6.808 -13.718 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.419 -4.850 -15.821 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.297 -6.588 -16.006 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -2.049 -5.157 -13.977 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.606 -5.848 -15.488 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.542 -7.984 -14.698 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.069 -7.720 -13.786 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -2.530 -6.256 -12.218 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -3.903 -7.004 -13.010 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -3.294 -8.190 -11.008 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -3.053 -9.182 -12.365 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -1.724 -8.457 -11.597 1.00 1.91 H new ATOM 160 N VAL A 12 2.745 -4.664 -14.443 1.00 0.44 N ATOM 161 CA VAL A 12 4.134 -4.546 -14.869 1.00 0.42 C ATOM 162 C VAL A 12 5.075 -4.924 -13.731 1.00 0.35 C ATOM 163 O VAL A 12 4.928 -4.450 -12.604 1.00 0.30 O ATOM 164 CB VAL A 12 4.494 -3.130 -15.398 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.824 -2.039 -14.585 1.00 0.47 C ATOM 166 CG2 VAL A 12 6.003 -2.935 -15.390 1.00 0.46 C ATOM 0 H VAL A 12 2.417 -3.909 -13.841 1.00 0.44 H new ATOM 0 HA VAL A 12 4.258 -5.240 -15.701 1.00 0.42 H new ATOM 0 HB VAL A 12 4.125 -3.056 -16.421 1.00 0.47 H new ATOM 0 HG11 VAL A 12 4.101 -1.064 -14.986 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.742 -2.159 -14.637 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.147 -2.109 -13.546 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.243 -1.939 -15.763 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.378 -3.042 -14.372 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.470 -3.684 -16.029 1.00 0.46 H new ATOM 176 N SER A 13 6.025 -5.795 -14.032 1.00 0.35 N ATOM 177 CA SER A 13 7.018 -6.209 -13.062 1.00 0.30 C ATOM 178 C SER A 13 8.088 -5.136 -12.924 1.00 0.28 C ATOM 179 O SER A 13 8.638 -4.650 -13.916 1.00 0.40 O ATOM 180 CB SER A 13 7.640 -7.546 -13.476 1.00 0.34 C ATOM 181 OG SER A 13 8.548 -8.026 -12.497 1.00 1.02 O ATOM 0 H SER A 13 6.127 -6.230 -14.949 1.00 0.35 H new ATOM 0 HA SER A 13 6.535 -6.344 -12.094 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.851 -8.282 -13.633 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.159 -7.427 -14.427 1.00 0.34 H new ATOM 0 HG SER A 13 8.925 -8.881 -12.792 1.00 1.02 H new ATOM 187 N GLY A 14 8.364 -4.753 -11.693 1.00 0.16 N ATOM 188 CA GLY A 14 9.324 -3.714 -11.445 1.00 0.14 C ATOM 189 C GLY A 14 10.016 -3.875 -10.122 1.00 0.12 C ATOM 190 O GLY A 14 10.048 -4.964 -9.561 1.00 0.14 O ATOM 0 H GLY A 14 7.935 -5.148 -10.856 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.067 -3.712 -12.242 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.823 -2.746 -11.474 1.00 0.14 H new ATOM 194 N ILE A 15 10.583 -2.792 -9.635 1.00 0.11 N ATOM 195 CA ILE A 15 11.331 -2.802 -8.398 1.00 0.12 C ATOM 196 C ILE A 15 10.799 -1.750 -7.445 1.00 0.10 C ATOM 197 O ILE A 15 10.235 -0.759 -7.865 1.00 0.08 O ATOM 198 CB ILE A 15 12.829 -2.554 -8.643 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.304 -3.316 -9.882 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.651 -2.956 -7.429 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.387 -4.814 -9.732 1.00 0.19 C ATOM 0 H ILE A 15 10.538 -1.879 -10.087 1.00 0.11 H new ATOM 0 HA ILE A 15 11.210 -3.791 -7.955 1.00 0.12 H new ATOM 0 HB ILE A 15 12.971 -1.487 -8.814 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.630 -3.088 -10.708 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.289 -2.941 -10.162 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.707 -2.771 -7.627 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.336 -2.370 -6.566 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.501 -4.016 -7.223 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.733 -5.255 -10.667 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.086 -5.061 -8.933 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.401 -5.210 -9.487 1.00 0.19 H new ATOM 213 N ILE A 16 10.977 -1.985 -6.170 1.00 0.13 N ATOM 214 CA ILE A 16 10.495 -1.090 -5.134 1.00 0.11 C ATOM 215 C ILE A 16 11.626 -0.743 -4.186 1.00 0.12 C ATOM 216 O ILE A 16 12.420 -1.607 -3.818 1.00 0.15 O ATOM 217 CB ILE A 16 9.322 -1.731 -4.358 1.00 0.12 C ATOM 218 CG1 ILE A 16 8.051 -0.934 -4.594 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.606 -1.822 -2.860 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.831 -1.571 -3.982 1.00 0.16 C ATOM 0 H ILE A 16 11.463 -2.807 -5.813 1.00 0.13 H new ATOM 0 HA ILE A 16 10.132 -0.177 -5.605 1.00 0.11 H new ATOM 0 HB ILE A 16 9.197 -2.747 -4.731 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.176 0.067 -4.182 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.895 -0.820 -5.667 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.755 -2.279 -2.355 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.495 -2.431 -2.695 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.771 -0.822 -2.460 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.957 -0.953 -4.186 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.683 -2.562 -4.412 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.969 -1.660 -2.904 1.00 0.16 H new ATOM 232 N ALA A 17 11.743 0.523 -3.846 1.00 0.10 N ATOM 233 CA ALA A 17 12.741 0.941 -2.885 1.00 0.10 C ATOM 234 C ALA A 17 12.198 1.975 -1.902 1.00 0.08 C ATOM 235 O ALA A 17 11.919 3.109 -2.273 1.00 0.08 O ATOM 236 CB ALA A 17 13.959 1.462 -3.615 1.00 0.12 C ATOM 0 H ALA A 17 11.164 1.276 -4.218 1.00 0.10 H new ATOM 0 HA ALA A 17 13.025 0.073 -2.290 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.710 1.777 -2.891 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.370 0.674 -4.245 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.675 2.312 -4.236 1.00 0.12 H new ATOM 242 N ILE A 18 12.045 1.567 -0.651 1.00 0.08 N ATOM 243 CA ILE A 18 11.722 2.483 0.430 1.00 0.08 C ATOM 244 C ILE A 18 13.009 3.073 0.966 1.00 0.09 C ATOM 245 O ILE A 18 13.894 2.341 1.409 1.00 0.18 O ATOM 246 CB ILE A 18 11.031 1.821 1.629 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.878 0.923 1.188 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.546 2.906 2.594 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.288 -0.503 0.936 1.00 0.12 C ATOM 0 H ILE A 18 12.141 0.595 -0.358 1.00 0.08 H new ATOM 0 HA ILE A 18 11.041 3.219 0.001 1.00 0.08 H new ATOM 0 HB ILE A 18 11.751 1.181 2.139 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.102 0.939 1.954 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.437 1.332 0.279 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.054 2.440 3.448 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.397 3.492 2.941 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.841 3.560 2.081 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.418 -1.082 0.626 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.042 -0.531 0.149 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.701 -0.930 1.850 1.00 0.12 H new ATOM 261 N ASN A 19 13.129 4.370 0.929 1.00 0.13 N ATOM 262 CA ASN A 19 14.314 5.017 1.439 1.00 0.18 C ATOM 263 C ASN A 19 13.926 6.071 2.436 1.00 0.20 C ATOM 264 O ASN A 19 12.979 6.824 2.205 1.00 0.21 O ATOM 265 CB ASN A 19 15.111 5.618 0.271 1.00 0.22 C ATOM 266 CG ASN A 19 14.721 7.042 -0.084 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.500 8.006 0.384 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 13.761 7.272 -0.814 1.00 0.29 N flip ATOM 0 H ASN A 19 12.424 5.003 0.552 1.00 0.13 H new ATOM 0 HA ASN A 19 14.947 4.289 1.947 1.00 0.18 H new ATOM 0 HB2 ASN A 19 16.172 5.596 0.521 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.977 4.987 -0.608 1.00 0.22 H new ATOM 0 HD21 ASN A 19 13.184 6.503 -1.155 1.00 0.29 H new ATOM 0 HD22 ASN A 19 13.541 8.232 -1.080 1.00 0.29 H new ATOM 275 N GLU A 20 14.598 6.123 3.575 1.00 0.24 N ATOM 276 CA GLU A 20 14.499 7.335 4.317 1.00 0.28 C ATOM 277 C GLU A 20 15.879 7.970 4.349 1.00 0.34 C ATOM 278 O GLU A 20 16.637 7.830 5.311 1.00 0.40 O ATOM 279 CB GLU A 20 14.057 7.047 5.749 1.00 0.33 C ATOM 280 CG GLU A 20 12.927 6.052 5.865 1.00 0.33 C ATOM 281 CD GLU A 20 12.383 5.980 7.274 1.00 0.55 C ATOM 282 OE1 GLU A 20 11.827 6.994 7.754 1.00 0.70 O ATOM 283 OE2 GLU A 20 12.498 4.903 7.900 1.00 0.74 O ATOM 0 H GLU A 20 15.178 5.385 3.973 1.00 0.24 H new ATOM 0 HA GLU A 20 13.768 7.996 3.851 1.00 0.28 H new ATOM 0 HB2 GLU A 20 14.912 6.674 6.312 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.751 7.983 6.217 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.126 6.331 5.180 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.278 5.066 5.560 1.00 0.33 H new ATOM 290 N ASP A 21 16.177 8.681 3.284 1.00 0.35 N ATOM 291 CA ASP A 21 17.205 9.703 3.233 1.00 0.41 C ATOM 292 C ASP A 21 16.509 10.979 2.831 1.00 0.41 C ATOM 293 O ASP A 21 17.050 12.082 2.851 1.00 0.46 O ATOM 294 CB ASP A 21 18.285 9.314 2.224 1.00 0.44 C ATOM 295 CG ASP A 21 19.387 10.345 2.114 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.166 10.492 3.077 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.491 10.999 1.058 1.00 0.53 O ATOM 0 H ASP A 21 15.693 8.560 2.395 1.00 0.35 H new ATOM 0 HA ASP A 21 17.705 9.825 4.194 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.718 8.357 2.514 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.827 9.173 1.245 1.00 0.44 H new ATOM 302 N VAL A 22 15.267 10.755 2.452 1.00 0.35 N ATOM 303 CA VAL A 22 14.498 11.657 1.632 1.00 0.33 C ATOM 304 C VAL A 22 13.477 12.441 2.454 1.00 0.31 C ATOM 305 O VAL A 22 13.323 12.208 3.659 1.00 0.30 O ATOM 306 CB VAL A 22 13.784 10.762 0.586 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.789 9.841 1.256 1.00 0.25 C ATOM 308 CG2 VAL A 22 13.116 11.519 -0.530 1.00 0.32 C ATOM 0 H VAL A 22 14.754 9.914 2.716 1.00 0.35 H new ATOM 0 HA VAL A 22 15.141 12.402 1.164 1.00 0.33 H new ATOM 0 HB VAL A 22 14.578 10.179 0.120 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.301 9.223 0.503 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.309 9.201 1.969 1.00 0.25 H new ATOM 0 HG13 VAL A 22 12.040 10.434 1.780 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.642 10.815 -1.214 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.360 12.187 -0.116 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.861 12.104 -1.069 1.00 0.32 H new ATOM 318 N SER A 23 12.816 13.386 1.795 1.00 0.32 N ATOM 319 CA SER A 23 11.619 14.022 2.316 1.00 0.28 C ATOM 320 C SER A 23 10.633 12.904 2.636 1.00 0.18 C ATOM 321 O SER A 23 10.832 11.811 2.120 1.00 0.16 O ATOM 322 CB SER A 23 11.084 15.002 1.280 1.00 0.35 C ATOM 323 OG SER A 23 12.110 15.890 0.862 1.00 1.31 O ATOM 0 H SER A 23 13.100 13.732 0.879 1.00 0.32 H new ATOM 0 HA SER A 23 11.809 14.598 3.221 1.00 0.28 H new ATOM 0 HB2 SER A 23 10.695 14.456 0.421 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.253 15.568 1.701 1.00 0.35 H new ATOM 0 HG SER A 23 11.752 16.513 0.195 1.00 1.31 H new ATOM 329 N PRO A 24 9.531 13.125 3.386 1.00 0.16 N ATOM 330 CA PRO A 24 8.973 12.081 4.267 1.00 0.16 C ATOM 331 C PRO A 24 9.009 10.712 3.611 1.00 0.15 C ATOM 332 O PRO A 24 8.499 10.541 2.501 1.00 0.22 O ATOM 333 CB PRO A 24 7.515 12.532 4.446 1.00 0.21 C ATOM 334 CG PRO A 24 7.317 13.606 3.430 1.00 0.19 C ATOM 335 CD PRO A 24 8.646 14.287 3.337 1.00 0.17 C ATOM 0 HA PRO A 24 9.531 11.980 5.198 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.823 11.705 4.286 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.338 12.905 5.455 1.00 0.21 H new ATOM 0 HG2 PRO A 24 7.016 13.191 2.468 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.536 14.302 3.736 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.758 14.858 2.415 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.819 14.978 4.162 1.00 0.17 H new ATOM 343 N ALA A 25 9.586 9.753 4.363 1.00 0.15 N ATOM 344 CA ALA A 25 10.111 8.486 3.828 1.00 0.14 C ATOM 345 C ALA A 25 9.406 8.032 2.584 1.00 0.14 C ATOM 346 O ALA A 25 8.178 7.965 2.528 1.00 0.18 O ATOM 347 CB ALA A 25 10.056 7.399 4.857 1.00 0.20 C ATOM 0 H ALA A 25 9.701 9.841 5.373 1.00 0.15 H new ATOM 0 HA ALA A 25 11.149 8.688 3.562 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.450 6.476 4.432 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.655 7.686 5.721 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.023 7.243 5.167 1.00 0.20 H new ATOM 353 N GLU A 26 10.188 7.656 1.606 1.00 0.14 N ATOM 354 CA GLU A 26 9.692 7.592 0.275 1.00 0.15 C ATOM 355 C GLU A 26 10.034 6.256 -0.379 1.00 0.11 C ATOM 356 O GLU A 26 11.167 5.782 -0.310 1.00 0.13 O ATOM 357 CB GLU A 26 10.237 8.805 -0.490 1.00 0.27 C ATOM 358 CG GLU A 26 9.850 8.851 -1.924 1.00 0.66 C ATOM 359 CD GLU A 26 10.390 10.077 -2.632 1.00 0.71 C ATOM 360 OE1 GLU A 26 9.775 11.161 -2.515 1.00 1.14 O ATOM 361 OE2 GLU A 26 11.442 9.969 -3.298 1.00 1.26 O ATOM 0 H GLU A 26 11.167 7.392 1.715 1.00 0.14 H new ATOM 0 HA GLU A 26 8.603 7.639 0.264 1.00 0.15 H new ATOM 0 HB2 GLU A 26 9.886 9.714 -0.002 1.00 0.27 H new ATOM 0 HB3 GLU A 26 11.325 8.805 -0.420 1.00 0.27 H new ATOM 0 HG2 GLU A 26 10.217 7.955 -2.425 1.00 0.66 H new ATOM 0 HG3 GLU A 26 8.763 8.838 -2.004 1.00 0.66 H new ATOM 368 N LEU A 27 9.029 5.652 -0.992 1.00 0.10 N ATOM 369 CA LEU A 27 9.173 4.401 -1.708 1.00 0.09 C ATOM 370 C LEU A 27 9.248 4.739 -3.168 1.00 0.09 C ATOM 371 O LEU A 27 8.599 5.668 -3.621 1.00 0.13 O ATOM 372 CB LEU A 27 7.949 3.502 -1.435 1.00 0.11 C ATOM 373 CG LEU A 27 7.758 2.260 -2.338 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.751 1.335 -1.705 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.259 2.619 -3.739 1.00 0.11 C ATOM 0 H LEU A 27 8.079 6.024 -1.005 1.00 0.10 H new ATOM 0 HA LEU A 27 10.066 3.864 -1.388 1.00 0.09 H new ATOM 0 HB2 LEU A 27 8.007 3.161 -0.401 1.00 0.11 H new ATOM 0 HB3 LEU A 27 7.054 4.119 -1.518 1.00 0.11 H new ATOM 0 HG LEU A 27 8.734 1.785 -2.437 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.614 0.459 -2.338 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.110 1.022 -0.725 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.799 1.855 -1.593 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.143 1.709 -4.328 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.298 3.127 -3.664 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.980 3.276 -4.225 1.00 0.11 H new ATOM 387 N THR A 28 10.023 4.002 -3.907 1.00 0.08 N ATOM 388 CA THR A 28 10.141 4.264 -5.312 1.00 0.09 C ATOM 389 C THR A 28 10.019 2.974 -6.099 1.00 0.08 C ATOM 390 O THR A 28 10.900 2.116 -6.043 1.00 0.10 O ATOM 391 CB THR A 28 11.471 4.961 -5.619 1.00 0.14 C ATOM 392 OG1 THR A 28 11.686 6.034 -4.689 1.00 0.21 O ATOM 393 CG2 THR A 28 11.462 5.509 -7.028 1.00 0.14 C ATOM 0 H THR A 28 10.580 3.219 -3.564 1.00 0.08 H new ATOM 0 HA THR A 28 9.331 4.929 -5.611 1.00 0.09 H new ATOM 0 HB THR A 28 12.276 4.233 -5.525 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.538 6.475 -4.889 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.413 6.002 -7.233 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.317 4.692 -7.735 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.650 6.229 -7.133 1.00 0.14 H new ATOM 401 N TRP A 29 8.905 2.818 -6.797 1.00 0.08 N ATOM 402 CA TRP A 29 8.718 1.661 -7.645 1.00 0.08 C ATOM 403 C TRP A 29 9.243 1.972 -9.026 1.00 0.08 C ATOM 404 O TRP A 29 8.688 2.775 -9.755 1.00 0.12 O ATOM 405 CB TRP A 29 7.251 1.218 -7.724 1.00 0.11 C ATOM 406 CG TRP A 29 7.059 -0.004 -8.584 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.112 -1.314 -8.189 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.797 -0.028 -9.992 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.908 -2.141 -9.267 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.711 -1.375 -10.381 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.627 0.961 -10.961 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.467 -1.757 -11.695 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.385 0.579 -12.262 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.306 -0.768 -12.618 1.00 0.24 C ATOM 0 H TRP A 29 8.125 3.475 -6.791 1.00 0.08 H new ATOM 0 HA TRP A 29 9.272 0.832 -7.205 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.883 1.011 -6.719 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.650 2.035 -8.122 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.288 -1.648 -7.177 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.904 -3.161 -9.240 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.684 2.006 -10.696 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.407 -2.799 -11.974 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 6.254 1.336 -13.021 1.00 0.24 H new ATOM 0 HH2 TRP A 29 6.113 -1.032 -13.647 1.00 0.24 H new ATOM 425 N ARG A 30 10.329 1.344 -9.357 1.00 0.10 N ATOM 426 CA ARG A 30 10.961 1.523 -10.636 1.00 0.12 C ATOM 427 C ARG A 30 10.866 0.234 -11.424 1.00 0.13 C ATOM 428 O ARG A 30 11.362 -0.786 -10.972 1.00 0.15 O ATOM 429 CB ARG A 30 12.415 1.875 -10.413 1.00 0.15 C ATOM 430 CG ARG A 30 13.243 1.791 -11.665 1.00 0.21 C ATOM 431 CD ARG A 30 14.662 1.416 -11.324 1.00 0.32 C ATOM 432 NE ARG A 30 15.500 1.297 -12.512 1.00 0.33 N ATOM 433 CZ ARG A 30 16.053 0.165 -12.938 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.826 -0.978 -12.297 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.831 0.180 -14.009 1.00 0.51 N ATOM 0 H ARG A 30 10.809 0.686 -8.744 1.00 0.10 H new ATOM 0 HA ARG A 30 10.468 2.321 -11.191 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.480 2.885 -10.009 1.00 0.15 H new ATOM 0 HB3 ARG A 30 12.834 1.204 -9.663 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.816 1.052 -12.343 1.00 0.21 H new ATOM 0 HG3 ARG A 30 13.227 2.748 -12.186 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.085 2.167 -10.657 1.00 0.32 H new ATOM 0 HD3 ARG A 30 14.666 0.470 -10.782 1.00 0.32 H new ATOM 0 HE ARG A 30 15.674 2.143 -13.055 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.225 -0.990 -11.473 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.253 -1.843 -12.629 1.00 0.87 H new ATOM 0 HH21 ARG A 30 17.003 1.056 -14.502 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.258 -0.685 -14.341 1.00 0.51 H new ATOM 449 N SER A 31 10.253 0.276 -12.595 1.00 0.16 N ATOM 450 CA SER A 31 10.065 -0.926 -13.382 1.00 0.18 C ATOM 451 C SER A 31 11.405 -1.578 -13.665 1.00 0.20 C ATOM 452 O SER A 31 12.421 -0.888 -13.751 1.00 0.24 O ATOM 453 CB SER A 31 9.324 -0.622 -14.689 1.00 0.28 C ATOM 454 OG SER A 31 10.055 0.269 -15.518 1.00 0.75 O ATOM 0 H SER A 31 9.880 1.126 -13.018 1.00 0.16 H new ATOM 0 HA SER A 31 9.451 -1.619 -12.807 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.142 -1.552 -15.228 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.350 -0.189 -14.462 1.00 0.28 H new ATOM 0 HG SER A 31 9.978 -0.016 -16.453 1.00 0.75 H new ATOM 460 N THR A 32 11.413 -2.895 -13.761 1.00 0.20 N ATOM 461 CA THR A 32 12.639 -3.640 -14.031 1.00 0.26 C ATOM 462 C THR A 32 13.398 -3.022 -15.216 1.00 0.30 C ATOM 463 O THR A 32 14.629 -2.921 -15.202 1.00 0.38 O ATOM 464 CB THR A 32 12.323 -5.113 -14.342 1.00 0.31 C ATOM 465 OG1 THR A 32 11.526 -5.666 -13.286 1.00 0.31 O ATOM 466 CG2 THR A 32 13.598 -5.930 -14.496 1.00 0.39 C ATOM 0 H THR A 32 10.582 -3.477 -13.656 1.00 0.20 H new ATOM 0 HA THR A 32 13.263 -3.589 -13.139 1.00 0.26 H new ATOM 0 HB THR A 32 11.775 -5.153 -15.284 1.00 0.31 H new ATOM 0 HG1 THR A 32 10.577 -5.530 -13.487 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.342 -6.967 -14.715 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.194 -5.523 -15.313 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.172 -5.886 -13.571 1.00 0.39 H new ATOM 474 N ASP A 33 12.638 -2.572 -16.217 1.00 0.32 N ATOM 475 CA ASP A 33 13.189 -1.974 -17.417 1.00 0.39 C ATOM 476 C ASP A 33 13.839 -0.626 -17.126 1.00 0.37 C ATOM 477 O ASP A 33 14.770 -0.211 -17.816 1.00 0.44 O ATOM 478 CB ASP A 33 12.074 -1.778 -18.439 1.00 0.52 C ATOM 479 CG ASP A 33 11.384 -3.068 -18.827 1.00 1.60 C ATOM 480 OD1 ASP A 33 10.438 -3.480 -18.123 1.00 2.33 O ATOM 481 OD2 ASP A 33 11.794 -3.685 -19.834 1.00 2.07 O ATOM 0 H ASP A 33 11.619 -2.616 -16.210 1.00 0.32 H new ATOM 0 HA ASP A 33 13.955 -2.645 -17.807 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.335 -1.087 -18.033 1.00 0.52 H new ATOM 0 HB3 ASP A 33 12.488 -1.312 -19.333 1.00 0.52 H new ATOM 486 N GLY A 34 13.346 0.049 -16.093 1.00 0.36 N ATOM 487 CA GLY A 34 13.845 1.368 -15.755 1.00 0.37 C ATOM 488 C GLY A 34 13.113 2.462 -16.503 1.00 0.42 C ATOM 489 O GLY A 34 13.620 3.572 -16.643 1.00 0.55 O ATOM 0 H GLY A 34 12.606 -0.296 -15.482 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.741 1.531 -14.682 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.909 1.422 -15.984 1.00 0.37 H new ATOM 493 N ASP A 35 11.911 2.154 -16.969 1.00 0.45 N ATOM 494 CA ASP A 35 11.178 3.060 -17.843 1.00 0.55 C ATOM 495 C ASP A 35 10.054 3.748 -17.087 1.00 0.46 C ATOM 496 O ASP A 35 9.773 4.930 -17.293 1.00 0.74 O ATOM 497 CB ASP A 35 10.615 2.291 -19.032 1.00 0.73 C ATOM 498 CG ASP A 35 9.960 3.188 -20.062 1.00 0.89 C ATOM 499 OD1 ASP A 35 10.687 3.779 -20.886 1.00 1.13 O ATOM 500 OD2 ASP A 35 8.716 3.292 -20.073 1.00 0.92 O ATOM 0 H ASP A 35 11.422 1.284 -16.757 1.00 0.45 H new ATOM 0 HA ASP A 35 11.866 3.825 -18.203 1.00 0.55 H new ATOM 0 HB2 ASP A 35 11.419 1.729 -19.507 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.885 1.564 -18.675 1.00 0.73 H new ATOM 505 N LYS A 36 9.425 3.002 -16.197 1.00 0.34 N ATOM 506 CA LYS A 36 8.307 3.507 -15.422 1.00 0.34 C ATOM 507 C LYS A 36 8.682 3.568 -13.943 1.00 0.27 C ATOM 508 O LYS A 36 9.036 2.555 -13.345 1.00 0.34 O ATOM 509 CB LYS A 36 7.082 2.613 -15.634 1.00 0.55 C ATOM 510 CG LYS A 36 5.888 2.997 -14.784 1.00 0.92 C ATOM 511 CD LYS A 36 4.771 1.969 -14.897 1.00 0.90 C ATOM 512 CE LYS A 36 4.043 2.064 -16.227 1.00 1.25 C ATOM 513 NZ LYS A 36 2.927 1.084 -16.324 1.00 2.03 N ATOM 0 H LYS A 36 9.673 2.034 -15.992 1.00 0.34 H new ATOM 0 HA LYS A 36 8.063 4.515 -15.757 1.00 0.34 H new ATOM 0 HB2 LYS A 36 6.795 2.650 -16.685 1.00 0.55 H new ATOM 0 HB3 LYS A 36 7.355 1.581 -15.414 1.00 0.55 H new ATOM 0 HG2 LYS A 36 6.196 3.089 -13.742 1.00 0.92 H new ATOM 0 HG3 LYS A 36 5.518 3.974 -15.094 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.187 0.968 -14.782 1.00 0.90 H new ATOM 0 HD3 LYS A 36 4.060 2.115 -14.083 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.651 3.073 -16.354 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.749 1.891 -17.040 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 2.251 1.398 -17.050 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 3.306 0.151 -16.584 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 2.443 1.017 -15.406 1.00 2.03 H new ATOM 527 N VAL A 37 8.620 4.759 -13.367 1.00 0.22 N ATOM 528 CA VAL A 37 8.977 4.957 -11.967 1.00 0.21 C ATOM 529 C VAL A 37 7.814 5.586 -11.207 1.00 0.22 C ATOM 530 O VAL A 37 7.367 6.686 -11.530 1.00 0.32 O ATOM 531 CB VAL A 37 10.224 5.857 -11.827 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.613 6.021 -10.366 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.389 5.294 -12.627 1.00 0.55 C ATOM 0 H VAL A 37 8.324 5.608 -13.849 1.00 0.22 H new ATOM 0 HA VAL A 37 9.205 3.978 -11.545 1.00 0.21 H new ATOM 0 HB VAL A 37 9.975 6.840 -12.227 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.494 6.659 -10.293 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.788 6.478 -9.819 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.836 5.044 -9.937 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.256 5.944 -12.514 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.633 4.297 -12.261 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.113 5.237 -13.680 1.00 0.55 H new ATOM 543 N HIS A 38 7.321 4.873 -10.210 1.00 0.17 N ATOM 544 CA HIS A 38 6.197 5.322 -9.415 1.00 0.19 C ATOM 545 C HIS A 38 6.606 5.460 -7.956 1.00 0.17 C ATOM 546 O HIS A 38 6.834 4.467 -7.268 1.00 0.17 O ATOM 547 CB HIS A 38 5.063 4.321 -9.527 1.00 0.25 C ATOM 548 CG HIS A 38 3.720 4.902 -9.210 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.849 5.334 -10.183 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.099 5.128 -8.028 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.756 5.801 -9.621 1.00 0.67 C ATOM 552 NE2 HIS A 38 1.877 5.691 -8.312 1.00 0.69 N ATOM 0 H HIS A 38 7.691 3.965 -9.930 1.00 0.17 H new ATOM 0 HA HIS A 38 5.869 6.293 -9.786 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.045 3.916 -10.539 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.257 3.487 -8.853 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.490 4.907 -7.046 1.00 0.56 H new ATOM 0 HE1 HIS A 38 0.902 6.207 -10.143 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.180 5.976 -7.624 1.00 0.69 H new ATOM 561 N THR A 39 6.683 6.682 -7.483 1.00 0.18 N ATOM 562 CA THR A 39 7.139 6.939 -6.132 1.00 0.17 C ATOM 563 C THR A 39 5.959 7.080 -5.158 1.00 0.19 C ATOM 564 O THR A 39 4.905 7.606 -5.518 1.00 0.30 O ATOM 565 CB THR A 39 7.989 8.215 -6.105 1.00 0.22 C ATOM 566 OG1 THR A 39 9.019 8.137 -7.102 1.00 0.23 O ATOM 567 CG2 THR A 39 8.618 8.398 -4.748 1.00 0.23 C ATOM 0 H THR A 39 6.436 7.517 -8.013 1.00 0.18 H new ATOM 0 HA THR A 39 7.741 6.089 -5.812 1.00 0.17 H new ATOM 0 HB THR A 39 7.342 9.067 -6.315 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.557 8.956 -7.081 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.218 9.308 -4.745 1.00 0.23 H new ATOM 0 HG22 THR A 39 7.836 8.476 -3.992 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.255 7.542 -4.524 1.00 0.23 H new ATOM 575 N VAL A 40 6.139 6.581 -3.938 1.00 0.13 N ATOM 576 CA VAL A 40 5.132 6.692 -2.892 1.00 0.18 C ATOM 577 C VAL A 40 5.682 7.436 -1.672 1.00 0.11 C ATOM 578 O VAL A 40 6.705 7.044 -1.112 1.00 0.11 O ATOM 579 CB VAL A 40 4.651 5.293 -2.451 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.898 5.366 -1.139 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.779 4.664 -3.515 1.00 0.66 C ATOM 0 H VAL A 40 6.985 6.090 -3.649 1.00 0.13 H new ATOM 0 HA VAL A 40 4.295 7.255 -3.305 1.00 0.18 H new ATOM 0 HB VAL A 40 5.534 4.669 -2.309 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.570 4.367 -0.851 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.552 5.770 -0.366 1.00 0.47 H new ATOM 0 HG13 VAL A 40 3.029 6.014 -1.254 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.452 3.679 -3.182 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.908 5.295 -3.691 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.348 4.564 -4.439 1.00 0.66 H new ATOM 591 N VAL A 41 5.004 8.507 -1.266 1.00 0.10 N ATOM 592 CA VAL A 41 5.368 9.225 -0.058 1.00 0.10 C ATOM 593 C VAL A 41 4.611 8.640 1.120 1.00 0.08 C ATOM 594 O VAL A 41 3.401 8.825 1.257 1.00 0.09 O ATOM 595 CB VAL A 41 5.074 10.741 -0.159 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.527 11.469 1.105 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.745 11.332 -1.390 1.00 0.18 C ATOM 0 H VAL A 41 4.199 8.893 -1.760 1.00 0.10 H new ATOM 0 HA VAL A 41 6.443 9.111 0.081 1.00 0.10 H new ATOM 0 HB VAL A 41 3.997 10.874 -0.256 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.310 12.533 1.010 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.996 11.066 1.967 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.599 11.329 1.241 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.528 12.399 -1.446 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.823 11.184 -1.323 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.365 10.837 -2.284 1.00 0.18 H new ATOM 607 N LEU A 42 5.342 7.932 1.953 1.00 0.08 N ATOM 608 CA LEU A 42 4.792 7.267 3.141 1.00 0.09 C ATOM 609 C LEU A 42 3.976 8.215 4.023 1.00 0.10 C ATOM 610 O LEU A 42 3.053 7.782 4.707 1.00 0.12 O ATOM 611 CB LEU A 42 5.911 6.645 3.976 1.00 0.10 C ATOM 612 CG LEU A 42 6.440 5.285 3.500 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.473 4.192 3.904 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.667 5.257 1.994 1.00 0.10 C ATOM 0 H LEU A 42 6.346 7.793 1.834 1.00 0.08 H new ATOM 0 HA LEU A 42 4.122 6.489 2.775 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.746 7.345 4.005 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.553 6.533 4.999 1.00 0.10 H new ATOM 0 HG LEU A 42 7.406 5.116 3.977 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.851 3.228 3.565 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.370 4.180 4.989 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.500 4.380 3.449 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.041 4.276 1.701 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.726 5.455 1.480 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.396 6.020 1.722 1.00 0.10 H new ATOM 626 N SER A 43 4.310 9.500 4.016 1.00 0.12 N ATOM 627 CA SER A 43 3.584 10.460 4.840 1.00 0.15 C ATOM 628 C SER A 43 2.185 10.709 4.278 1.00 0.14 C ATOM 629 O SER A 43 1.225 10.880 5.029 1.00 0.17 O ATOM 630 CB SER A 43 4.353 11.772 4.953 1.00 0.20 C ATOM 631 OG SER A 43 3.640 12.731 5.713 1.00 1.06 O ATOM 0 H SER A 43 5.066 9.897 3.459 1.00 0.12 H new ATOM 0 HA SER A 43 3.483 10.035 5.839 1.00 0.15 H new ATOM 0 HB2 SER A 43 5.322 11.587 5.416 1.00 0.20 H new ATOM 0 HB3 SER A 43 4.546 12.168 3.956 1.00 0.20 H new ATOM 0 HG SER A 43 4.161 13.559 5.767 1.00 1.06 H new ATOM 637 N THR A 44 2.063 10.704 2.954 1.00 0.13 N ATOM 638 CA THR A 44 0.758 10.859 2.321 1.00 0.14 C ATOM 639 C THR A 44 -0.024 9.556 2.422 1.00 0.13 C ATOM 640 O THR A 44 -1.224 9.519 2.183 1.00 0.18 O ATOM 641 CB THR A 44 0.868 11.281 0.838 1.00 0.16 C ATOM 642 OG1 THR A 44 1.571 10.287 0.080 1.00 0.17 O ATOM 643 CG2 THR A 44 1.581 12.618 0.705 1.00 0.20 C ATOM 0 H THR A 44 2.842 10.596 2.305 1.00 0.13 H new ATOM 0 HA THR A 44 0.235 11.655 2.851 1.00 0.14 H new ATOM 0 HB THR A 44 -0.144 11.380 0.446 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.147 9.767 0.678 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.646 12.893 -0.348 1.00 0.20 H new ATOM 0 HG22 THR A 44 1.024 13.383 1.246 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.585 12.538 1.121 1.00 0.20 H new ATOM 651 N ILE A 45 0.681 8.492 2.774 1.00 0.11 N ATOM 652 CA ILE A 45 0.078 7.192 2.979 1.00 0.12 C ATOM 653 C ILE A 45 -0.588 7.096 4.354 1.00 0.16 C ATOM 654 O ILE A 45 0.054 7.294 5.384 1.00 0.23 O ATOM 655 CB ILE A 45 1.136 6.086 2.854 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.775 6.099 1.459 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.515 4.740 3.147 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.805 5.808 0.323 1.00 0.10 C ATOM 0 H ILE A 45 1.690 8.510 2.925 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.684 7.061 2.211 1.00 0.12 H new ATOM 0 HB ILE A 45 1.923 6.273 3.584 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.232 7.074 1.290 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.578 5.362 1.433 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.273 3.962 3.056 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.113 4.738 4.160 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.289 4.548 2.437 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.338 5.837 -0.627 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.366 4.820 0.463 1.00 0.10 H new ATOM 0 HD13 ILE A 45 0.015 6.559 0.318 1.00 0.10 H new ATOM 670 N ASP A 46 -1.886 6.822 4.355 1.00 0.16 N ATOM 671 CA ASP A 46 -2.641 6.624 5.589 1.00 0.22 C ATOM 672 C ASP A 46 -2.462 5.206 6.113 1.00 0.22 C ATOM 673 O ASP A 46 -2.319 4.976 7.317 1.00 0.28 O ATOM 674 CB ASP A 46 -4.127 6.872 5.340 1.00 0.28 C ATOM 675 CG ASP A 46 -4.965 6.681 6.592 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.866 7.523 7.506 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.716 5.689 6.678 1.00 0.61 O ATOM 0 H ASP A 46 -2.444 6.731 3.506 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.264 7.330 6.329 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.265 7.886 4.965 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.480 6.194 4.563 1.00 0.28 H new ATOM 682 N LYS A 47 -2.469 4.259 5.186 1.00 0.21 N ATOM 683 CA LYS A 47 -2.477 2.841 5.516 1.00 0.27 C ATOM 684 C LYS A 47 -1.503 2.075 4.640 1.00 0.18 C ATOM 685 O LYS A 47 -1.360 2.372 3.464 1.00 0.20 O ATOM 686 CB LYS A 47 -3.879 2.268 5.278 1.00 0.41 C ATOM 687 CG LYS A 47 -4.927 2.706 6.269 1.00 1.07 C ATOM 688 CD LYS A 47 -4.613 2.262 7.677 1.00 1.01 C ATOM 689 CE LYS A 47 -5.801 2.515 8.576 1.00 1.60 C ATOM 690 NZ LYS A 47 -6.089 3.966 8.730 1.00 1.95 N ATOM 0 H LYS A 47 -2.469 4.452 4.184 1.00 0.21 H new ATOM 0 HA LYS A 47 -2.186 2.737 6.561 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -4.206 2.553 4.278 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.817 1.180 5.295 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -5.014 3.792 6.245 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.895 2.302 5.972 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -4.360 1.202 7.685 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.742 2.800 8.051 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -6.678 2.014 8.166 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -5.612 2.078 9.556 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -6.941 4.091 9.313 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -5.282 4.433 9.192 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -6.245 4.390 7.793 1.00 1.95 H new ATOM 704 N LEU A 48 -0.833 1.094 5.204 1.00 0.14 N ATOM 705 CA LEU A 48 -0.145 0.115 4.393 1.00 0.10 C ATOM 706 C LEU A 48 -0.734 -1.250 4.652 1.00 0.11 C ATOM 707 O LEU A 48 -0.985 -1.634 5.791 1.00 0.14 O ATOM 708 CB LEU A 48 1.350 0.062 4.652 1.00 0.10 C ATOM 709 CG LEU A 48 1.999 -1.234 4.178 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.063 -1.288 2.669 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.379 -1.386 4.748 1.00 0.13 C ATOM 0 H LEU A 48 -0.750 0.954 6.211 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.281 0.416 3.354 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.828 0.904 4.152 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.531 0.181 5.720 1.00 0.10 H new ATOM 0 HG LEU A 48 1.380 -2.057 4.534 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.530 -2.222 2.358 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.054 -1.233 2.260 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.651 -0.448 2.299 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.818 -2.319 4.394 1.00 0.13 H new ATOM 0 HD22 LEU A 48 3.999 -0.548 4.428 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.323 -1.402 5.836 1.00 0.13 H new ATOM 723 N GLN A 49 -0.903 -1.975 3.585 1.00 0.10 N ATOM 724 CA GLN A 49 -1.490 -3.290 3.627 1.00 0.11 C ATOM 725 C GLN A 49 -0.491 -4.299 3.110 1.00 0.10 C ATOM 726 O GLN A 49 0.417 -3.960 2.352 1.00 0.12 O ATOM 727 CB GLN A 49 -2.740 -3.363 2.759 1.00 0.15 C ATOM 728 CG GLN A 49 -3.817 -2.342 3.095 1.00 0.27 C ATOM 729 CD GLN A 49 -4.357 -2.476 4.506 1.00 0.86 C ATOM 730 OE1 GLN A 49 -3.883 -1.820 5.425 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.337 -3.349 4.689 1.00 1.03 N ATOM 0 H GLN A 49 -0.635 -1.670 2.649 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.762 -3.506 4.660 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.449 -3.232 1.717 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.167 -4.362 2.847 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.410 -1.339 2.964 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.640 -2.447 2.388 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -5.705 -3.876 3.897 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.724 -3.494 5.622 1.00 1.03 H new ATOM 740 N ALA A 50 -0.682 -5.528 3.507 1.00 0.11 N ATOM 741 CA ALA A 50 0.142 -6.630 3.063 1.00 0.13 C ATOM 742 C ALA A 50 -0.638 -7.914 3.310 1.00 0.18 C ATOM 743 O ALA A 50 -1.465 -7.960 4.220 1.00 0.25 O ATOM 744 CB ALA A 50 1.479 -6.623 3.805 1.00 0.16 C ATOM 0 H ALA A 50 -1.421 -5.800 4.155 1.00 0.11 H new ATOM 0 HA ALA A 50 0.373 -6.545 2.001 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.090 -7.458 3.462 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.000 -5.686 3.607 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.301 -6.720 4.876 1.00 0.16 H new ATOM 750 N THR A 51 -0.425 -8.919 2.476 1.00 0.17 N ATOM 751 CA THR A 51 -1.142 -10.188 2.600 1.00 0.22 C ATOM 752 C THR A 51 -1.021 -10.750 4.010 1.00 0.33 C ATOM 753 O THR A 51 0.076 -10.903 4.547 1.00 0.37 O ATOM 754 CB THR A 51 -0.589 -11.231 1.620 1.00 0.21 C ATOM 755 OG1 THR A 51 0.833 -11.312 1.741 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.948 -10.907 0.184 1.00 0.20 C ATOM 0 H THR A 51 0.239 -8.885 1.703 1.00 0.17 H new ATOM 0 HA THR A 51 -2.188 -9.984 2.372 1.00 0.22 H new ATOM 0 HB THR A 51 -1.043 -12.188 1.876 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.217 -10.411 1.701 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.536 -11.671 -0.475 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.032 -10.881 0.077 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.534 -9.935 -0.084 1.00 0.20 H new ATOM 764 N PRO A 52 -2.163 -11.059 4.616 1.00 0.41 N ATOM 765 CA PRO A 52 -2.235 -11.679 5.938 1.00 0.54 C ATOM 766 C PRO A 52 -1.692 -13.100 5.906 1.00 0.61 C ATOM 767 O PRO A 52 -1.508 -13.672 4.832 1.00 0.58 O ATOM 768 CB PRO A 52 -3.736 -11.686 6.235 1.00 0.64 C ATOM 769 CG PRO A 52 -4.374 -11.670 4.900 1.00 0.60 C ATOM 770 CD PRO A 52 -3.492 -10.828 4.043 1.00 0.45 C ATOM 0 HA PRO A 52 -1.645 -11.151 6.688 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -4.025 -12.570 6.803 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -4.028 -10.818 6.826 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -4.465 -12.679 4.497 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -5.381 -11.256 4.952 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.539 -11.129 2.996 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.773 -9.776 4.085 1.00 0.45 H new ATOM 778 N ALA A 53 -1.427 -13.669 7.072 1.00 0.73 N ATOM 779 CA ALA A 53 -0.969 -15.050 7.152 1.00 0.86 C ATOM 780 C ALA A 53 -2.033 -15.995 6.600 1.00 0.91 C ATOM 781 O ALA A 53 -1.735 -17.115 6.182 1.00 1.00 O ATOM 782 CB ALA A 53 -0.622 -15.411 8.588 1.00 1.02 C ATOM 0 H ALA A 53 -1.520 -13.200 7.973 1.00 0.73 H new ATOM 0 HA ALA A 53 -0.069 -15.155 6.546 1.00 0.86 H new ATOM 0 HB1 ALA A 53 -0.282 -16.446 8.631 1.00 1.02 H new ATOM 0 HB2 ALA A 53 0.169 -14.753 8.947 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -1.505 -15.293 9.216 1.00 1.02 H new ATOM 788 N SER A 54 -3.278 -15.528 6.607 1.00 0.89 N ATOM 789 CA SER A 54 -4.395 -16.269 6.036 1.00 0.98 C ATOM 790 C SER A 54 -4.355 -16.246 4.509 1.00 0.88 C ATOM 791 O SER A 54 -4.892 -17.136 3.853 1.00 0.97 O ATOM 792 CB SER A 54 -5.714 -15.672 6.522 1.00 1.07 C ATOM 793 OG SER A 54 -5.821 -15.743 7.934 1.00 1.58 O ATOM 0 H SER A 54 -3.539 -14.627 7.008 1.00 0.89 H new ATOM 0 HA SER A 54 -4.315 -17.305 6.364 1.00 0.98 H new ATOM 0 HB2 SER A 54 -5.786 -14.633 6.201 1.00 1.07 H new ATOM 0 HB3 SER A 54 -6.548 -16.205 6.064 1.00 1.07 H new ATOM 0 HG SER A 54 -6.674 -15.352 8.217 1.00 1.58 H new ATOM 799 N SER A 55 -3.719 -15.227 3.950 1.00 0.71 N ATOM 800 CA SER A 55 -3.605 -15.100 2.504 1.00 0.61 C ATOM 801 C SER A 55 -2.639 -16.152 1.965 1.00 0.63 C ATOM 802 O SER A 55 -1.664 -16.513 2.628 1.00 0.71 O ATOM 803 CB SER A 55 -3.114 -13.696 2.121 1.00 0.55 C ATOM 804 OG SER A 55 -3.052 -13.543 0.713 1.00 0.54 O ATOM 0 H SER A 55 -3.273 -14.475 4.476 1.00 0.71 H new ATOM 0 HA SER A 55 -4.590 -15.255 2.064 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.783 -12.946 2.542 1.00 0.55 H new ATOM 0 HB3 SER A 55 -2.128 -13.522 2.553 1.00 0.55 H new ATOM 0 HG SER A 55 -3.370 -12.649 0.467 1.00 0.54 H new ATOM 810 N GLU A 56 -2.924 -16.657 0.775 1.00 0.61 N ATOM 811 CA GLU A 56 -2.071 -17.653 0.139 1.00 0.69 C ATOM 812 C GLU A 56 -1.024 -16.966 -0.720 1.00 0.60 C ATOM 813 O GLU A 56 -0.133 -17.609 -1.280 1.00 0.70 O ATOM 814 CB GLU A 56 -2.890 -18.589 -0.732 1.00 0.80 C ATOM 815 CG GLU A 56 -4.241 -18.944 -0.151 1.00 1.19 C ATOM 816 CD GLU A 56 -5.316 -17.948 -0.541 1.00 2.20 C ATOM 817 OE1 GLU A 56 -5.805 -18.012 -1.685 1.00 2.89 O ATOM 818 OE2 GLU A 56 -5.664 -17.084 0.289 1.00 2.66 O ATOM 0 H GLU A 56 -3.743 -16.393 0.227 1.00 0.61 H new ATOM 0 HA GLU A 56 -1.585 -18.233 0.924 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -3.036 -18.126 -1.708 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -2.324 -19.506 -0.895 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.530 -19.939 -0.491 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -4.166 -18.988 0.936 1.00 1.19 H new ATOM 825 N LYS A 57 -1.157 -15.657 -0.829 1.00 0.46 N ATOM 826 CA LYS A 57 -0.306 -14.862 -1.696 1.00 0.39 C ATOM 827 C LYS A 57 0.598 -13.972 -0.862 1.00 0.32 C ATOM 828 O LYS A 57 0.469 -13.928 0.364 1.00 0.39 O ATOM 829 CB LYS A 57 -1.165 -14.001 -2.614 1.00 0.41 C ATOM 830 CG LYS A 57 -2.446 -14.679 -3.074 1.00 0.56 C ATOM 831 CD LYS A 57 -2.175 -15.893 -3.935 1.00 0.89 C ATOM 832 CE LYS A 57 -1.515 -15.532 -5.254 1.00 1.84 C ATOM 833 NZ LYS A 57 -2.357 -14.622 -6.078 1.00 2.59 N ATOM 0 H LYS A 57 -1.856 -15.116 -0.320 1.00 0.46 H new ATOM 0 HA LYS A 57 0.308 -15.531 -2.299 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.421 -13.077 -2.095 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.578 -13.723 -3.489 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -3.030 -14.977 -2.203 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -3.051 -13.966 -3.635 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -1.535 -16.586 -3.389 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -3.113 -16.412 -4.131 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -0.554 -15.056 -5.058 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -1.311 -16.443 -5.817 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -1.978 -14.579 -7.045 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -3.333 -14.981 -6.104 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -2.350 -13.669 -5.661 1.00 2.59 H new ATOM 847 N MET A 58 1.511 -13.272 -1.525 1.00 0.27 N ATOM 848 CA MET A 58 2.392 -12.327 -0.850 1.00 0.25 C ATOM 849 C MET A 58 2.387 -11.005 -1.612 1.00 0.23 C ATOM 850 O MET A 58 2.967 -10.913 -2.689 1.00 0.29 O ATOM 851 CB MET A 58 3.834 -12.846 -0.811 1.00 0.29 C ATOM 852 CG MET A 58 4.021 -14.357 -0.905 1.00 0.42 C ATOM 853 SD MET A 58 3.164 -15.284 0.382 1.00 1.78 S ATOM 854 CE MET A 58 3.507 -16.962 -0.140 1.00 1.53 C ATOM 0 H MET A 58 1.661 -13.341 -2.532 1.00 0.27 H new ATOM 0 HA MET A 58 2.030 -12.196 0.170 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.384 -12.383 -1.630 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.294 -12.503 0.116 1.00 0.29 H new ATOM 0 HG2 MET A 58 3.668 -14.696 -1.879 1.00 0.42 H new ATOM 0 HG3 MET A 58 5.086 -14.585 -0.855 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.043 -17.661 0.556 1.00 1.53 H new ATOM 0 HE2 MET A 58 3.102 -17.122 -1.139 1.00 1.53 H new ATOM 0 HE3 MET A 58 4.585 -17.125 -0.155 1.00 1.53 H new ATOM 864 N MET A 59 1.772 -9.974 -1.046 1.00 0.20 N ATOM 865 CA MET A 59 1.662 -8.678 -1.715 1.00 0.21 C ATOM 866 C MET A 59 1.510 -7.537 -0.712 1.00 0.18 C ATOM 867 O MET A 59 1.260 -7.761 0.472 1.00 0.26 O ATOM 868 CB MET A 59 0.471 -8.645 -2.682 1.00 0.27 C ATOM 869 CG MET A 59 0.653 -9.459 -3.957 1.00 0.64 C ATOM 870 SD MET A 59 0.018 -11.141 -3.848 1.00 1.30 S ATOM 871 CE MET A 59 -1.735 -10.853 -4.060 1.00 0.62 C ATOM 0 H MET A 59 1.340 -10.008 -0.123 1.00 0.20 H new ATOM 0 HA MET A 59 2.587 -8.542 -2.275 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.413 -9.010 -2.159 1.00 0.27 H new ATOM 0 HB3 MET A 59 0.273 -7.609 -2.956 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.153 -8.945 -4.778 1.00 0.64 H new ATOM 0 HG3 MET A 59 1.714 -9.497 -4.203 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.244 -10.988 -3.106 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.896 -9.836 -4.416 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.134 -11.560 -4.787 1.00 0.62 H new ATOM 881 N LEU A 60 1.651 -6.315 -1.215 1.00 0.12 N ATOM 882 CA LEU A 60 1.503 -5.097 -0.421 1.00 0.10 C ATOM 883 C LEU A 60 0.492 -4.144 -1.062 1.00 0.10 C ATOM 884 O LEU A 60 0.197 -4.256 -2.250 1.00 0.13 O ATOM 885 CB LEU A 60 2.834 -4.361 -0.333 1.00 0.13 C ATOM 886 CG LEU A 60 3.580 -4.495 0.983 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.399 -5.762 1.031 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.472 -3.301 1.189 1.00 0.14 C ATOM 0 H LEU A 60 1.873 -6.139 -2.195 1.00 0.12 H new ATOM 0 HA LEU A 60 1.159 -5.395 0.569 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.480 -4.722 -1.133 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.655 -3.302 -0.521 1.00 0.13 H new ATOM 0 HG LEU A 60 2.841 -4.544 1.783 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.919 -5.823 1.987 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.742 -6.624 0.919 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.129 -5.754 0.221 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.004 -3.403 2.135 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.191 -3.239 0.373 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.867 -2.394 1.209 1.00 0.14 H new ATOM 900 N ARG A 61 -0.022 -3.197 -0.278 1.00 0.10 N ATOM 901 CA ARG A 61 -0.819 -2.097 -0.822 1.00 0.11 C ATOM 902 C ARG A 61 -0.738 -0.858 0.084 1.00 0.11 C ATOM 903 O ARG A 61 -1.220 -0.876 1.209 1.00 0.11 O ATOM 904 CB ARG A 61 -2.284 -2.495 -1.020 1.00 0.16 C ATOM 905 CG ARG A 61 -3.110 -1.397 -1.677 1.00 0.32 C ATOM 906 CD ARG A 61 -4.573 -1.786 -1.794 1.00 0.56 C ATOM 907 NE ARG A 61 -5.154 -2.118 -0.493 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.449 -2.364 -0.287 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.298 -2.390 -1.306 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.889 -2.595 0.942 1.00 2.72 N ATOM 0 H ARG A 61 0.099 -3.169 0.734 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.397 -1.856 -1.798 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.332 -3.395 -1.633 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.722 -2.744 -0.053 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.023 -0.479 -1.095 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.710 -1.185 -2.668 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -5.132 -0.965 -2.243 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -4.669 -2.641 -2.464 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.527 -2.165 0.310 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.962 -2.221 -2.254 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.287 -2.579 -1.141 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.238 -2.584 1.727 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.879 -2.783 1.102 1.00 2.72 H new ATOM 924 N LEU A 62 -0.144 0.214 -0.421 1.00 0.11 N ATOM 925 CA LEU A 62 0.006 1.464 0.330 1.00 0.11 C ATOM 926 C LEU A 62 -1.142 2.434 0.016 1.00 0.15 C ATOM 927 O LEU A 62 -1.206 3.001 -1.070 1.00 0.19 O ATOM 928 CB LEU A 62 1.364 2.101 -0.001 1.00 0.12 C ATOM 929 CG LEU A 62 2.521 1.604 0.873 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.867 1.921 0.255 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.452 2.228 2.246 1.00 0.86 C ATOM 0 H LEU A 62 0.249 0.247 -1.362 1.00 0.11 H new ATOM 0 HA LEU A 62 -0.033 1.242 1.397 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.601 1.901 -1.046 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.281 3.183 0.106 1.00 0.12 H new ATOM 0 HG LEU A 62 2.420 0.522 0.952 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.661 1.553 0.904 1.00 0.90 H new ATOM 0 HD12 LEU A 62 3.942 1.439 -0.720 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.967 3.000 0.135 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.281 1.864 2.853 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.517 3.312 2.156 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.509 1.959 2.721 1.00 0.86 H new ATOM 943 N ILE A 63 -2.026 2.636 0.986 1.00 0.17 N ATOM 944 CA ILE A 63 -3.215 3.471 0.820 1.00 0.23 C ATOM 945 C ILE A 63 -2.883 4.921 1.136 1.00 0.21 C ATOM 946 O ILE A 63 -2.495 5.237 2.257 1.00 0.25 O ATOM 947 CB ILE A 63 -4.348 3.065 1.797 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.242 1.595 2.219 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.719 3.355 1.196 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.492 0.601 1.128 1.00 0.33 C ATOM 0 H ILE A 63 -1.940 2.224 1.915 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.541 3.340 -0.212 1.00 0.23 H new ATOM 0 HB ILE A 63 -4.229 3.672 2.694 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.246 1.421 2.626 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.952 1.413 3.025 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.495 3.061 1.902 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.806 4.421 0.985 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.837 2.791 0.271 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.394 -0.409 1.526 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.499 0.739 0.734 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.766 0.748 0.329 1.00 0.33 H new ATOM 962 N GLY A 64 -3.042 5.800 0.162 1.00 0.27 N ATOM 963 CA GLY A 64 -2.804 7.208 0.411 1.00 0.30 C ATOM 964 C GLY A 64 -3.994 7.858 1.081 1.00 0.35 C ATOM 965 O GLY A 64 -5.118 7.393 0.920 1.00 0.48 O ATOM 0 H GLY A 64 -3.329 5.570 -0.789 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -1.922 7.324 1.041 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.593 7.715 -0.530 1.00 0.30 H new ATOM 969 N LYS A 65 -3.754 8.913 1.848 1.00 0.30 N ATOM 970 CA LYS A 65 -4.838 9.660 2.471 1.00 0.33 C ATOM 971 C LYS A 65 -5.717 10.298 1.409 1.00 0.38 C ATOM 972 O LYS A 65 -5.222 10.802 0.399 1.00 0.41 O ATOM 973 CB LYS A 65 -4.313 10.769 3.395 1.00 0.34 C ATOM 974 CG LYS A 65 -3.994 10.331 4.820 1.00 0.36 C ATOM 975 CD LYS A 65 -2.588 9.790 4.969 1.00 0.40 C ATOM 976 CE LYS A 65 -2.057 10.056 6.368 1.00 0.43 C ATOM 977 NZ LYS A 65 -0.644 9.628 6.537 1.00 1.15 N ATOM 0 H LYS A 65 -2.821 9.270 2.053 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.412 8.949 3.065 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.412 11.192 2.952 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.054 11.567 3.435 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.125 11.178 5.493 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.707 9.566 5.128 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.582 8.718 4.770 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.934 10.255 4.232 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.138 11.121 6.586 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -2.680 9.533 7.094 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.333 9.832 7.508 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -0.567 8.607 6.356 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -0.042 10.145 5.865 1.00 1.15 H new ATOM 991 N VAL A 66 -7.016 10.260 1.631 1.00 0.42 N ATOM 992 CA VAL A 66 -7.946 10.974 0.783 1.00 0.51 C ATOM 993 C VAL A 66 -8.186 12.357 1.366 1.00 0.57 C ATOM 994 O VAL A 66 -7.971 12.587 2.559 1.00 0.61 O ATOM 995 CB VAL A 66 -9.278 10.208 0.630 1.00 0.57 C ATOM 996 CG1 VAL A 66 -9.967 10.032 1.974 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.204 10.889 -0.369 1.00 0.69 C ATOM 0 H VAL A 66 -7.451 9.741 2.394 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.514 11.065 -0.213 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.041 9.219 0.239 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -10.902 9.489 1.835 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.317 9.470 2.645 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.176 11.010 2.407 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.131 10.322 -0.451 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.426 11.900 -0.028 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -9.718 10.933 -1.344 1.00 0.69 H new ATOM 1007 N ASP A 67 -8.602 13.274 0.521 1.00 0.73 N ATOM 1008 CA ASP A 67 -8.784 14.658 0.928 1.00 0.89 C ATOM 1009 C ASP A 67 -10.124 14.846 1.631 1.00 0.98 C ATOM 1010 O ASP A 67 -11.145 15.125 0.999 1.00 1.33 O ATOM 1011 CB ASP A 67 -8.669 15.579 -0.283 1.00 1.25 C ATOM 1012 CG ASP A 67 -8.836 17.036 0.079 1.00 1.91 C ATOM 1013 OD1 ASP A 67 -8.118 17.507 0.981 1.00 2.56 O ATOM 1014 OD2 ASP A 67 -9.688 17.718 -0.531 1.00 2.29 O ATOM 0 H ASP A 67 -8.823 13.089 -0.458 1.00 0.73 H new ATOM 0 HA ASP A 67 -7.999 14.918 1.637 1.00 0.89 H new ATOM 0 HB2 ASP A 67 -7.697 15.434 -0.754 1.00 1.25 H new ATOM 0 HB3 ASP A 67 -9.424 15.302 -1.019 1.00 1.25 H new ATOM 1019 N GLU A 68 -10.101 14.685 2.947 1.00 1.24 N ATOM 1020 CA GLU A 68 -11.303 14.773 3.768 1.00 1.65 C ATOM 1021 C GLU A 68 -11.628 16.214 4.147 1.00 1.54 C ATOM 1022 O GLU A 68 -12.632 16.467 4.814 1.00 1.96 O ATOM 1023 CB GLU A 68 -11.139 13.942 5.036 1.00 2.31 C ATOM 1024 CG GLU A 68 -11.200 12.445 4.805 1.00 2.77 C ATOM 1025 CD GLU A 68 -12.570 11.986 4.349 1.00 3.14 C ATOM 1026 OE1 GLU A 68 -13.481 11.887 5.198 1.00 3.79 O ATOM 1027 OE2 GLU A 68 -12.747 11.731 3.142 1.00 3.27 O ATOM 0 H GLU A 68 -9.251 14.490 3.476 1.00 1.24 H new ATOM 0 HA GLU A 68 -12.129 14.383 3.174 1.00 1.65 H new ATOM 0 HB2 GLU A 68 -10.184 14.189 5.499 1.00 2.31 H new ATOM 0 HB3 GLU A 68 -11.918 14.222 5.745 1.00 2.31 H new ATOM 0 HG2 GLU A 68 -10.458 12.165 4.057 1.00 2.77 H new ATOM 0 HG3 GLU A 68 -10.934 11.927 5.726 1.00 2.77 H new ATOM 1034 N SER A 69 -10.776 17.150 3.737 1.00 1.50 N ATOM 1035 CA SER A 69 -10.952 18.549 4.109 1.00 2.01 C ATOM 1036 C SER A 69 -12.318 19.072 3.670 1.00 2.42 C ATOM 1037 O SER A 69 -12.981 19.803 4.409 1.00 2.92 O ATOM 1038 CB SER A 69 -9.839 19.397 3.499 1.00 2.57 C ATOM 1039 OG SER A 69 -9.781 19.227 2.091 1.00 3.05 O ATOM 0 H SER A 69 -9.962 16.966 3.151 1.00 1.50 H new ATOM 0 HA SER A 69 -10.901 18.620 5.195 1.00 2.01 H new ATOM 0 HB2 SER A 69 -10.007 20.448 3.735 1.00 2.57 H new ATOM 0 HB3 SER A 69 -8.882 19.120 3.942 1.00 2.57 H new ATOM 0 HG SER A 69 -8.908 18.858 1.842 1.00 3.05 H new ATOM 1045 N LYS A 70 -12.750 18.676 2.479 1.00 2.48 N ATOM 1046 CA LYS A 70 -14.072 19.005 1.998 1.00 3.28 C ATOM 1047 C LYS A 70 -14.566 17.924 1.049 1.00 3.00 C ATOM 1048 O LYS A 70 -13.785 17.344 0.295 1.00 2.93 O ATOM 1049 CB LYS A 70 -14.063 20.377 1.311 1.00 4.20 C ATOM 1050 CG LYS A 70 -12.757 20.735 0.606 1.00 4.31 C ATOM 1051 CD LYS A 70 -12.508 19.875 -0.620 1.00 4.26 C ATOM 1052 CE LYS A 70 -11.331 20.387 -1.427 1.00 4.89 C ATOM 1053 NZ LYS A 70 -10.061 20.303 -0.664 1.00 5.48 N ATOM 0 H LYS A 70 -12.193 18.122 1.829 1.00 2.48 H new ATOM 0 HA LYS A 70 -14.756 19.056 2.845 1.00 3.28 H new ATOM 0 HB2 LYS A 70 -14.873 20.407 0.582 1.00 4.20 H new ATOM 0 HB3 LYS A 70 -14.278 21.142 2.057 1.00 4.20 H new ATOM 0 HG2 LYS A 70 -12.782 21.784 0.312 1.00 4.31 H new ATOM 0 HG3 LYS A 70 -11.927 20.619 1.303 1.00 4.31 H new ATOM 0 HD2 LYS A 70 -12.320 18.846 -0.312 1.00 4.26 H new ATOM 0 HD3 LYS A 70 -13.401 19.863 -1.245 1.00 4.26 H new ATOM 0 HE2 LYS A 70 -11.242 19.808 -2.346 1.00 4.89 H new ATOM 0 HE3 LYS A 70 -11.512 21.422 -1.718 1.00 4.89 H new ATOM 0 HZ1 LYS A 70 -9.262 20.516 -1.295 1.00 5.48 H new ATOM 0 HZ2 LYS A 70 -10.079 20.990 0.116 1.00 5.48 H new ATOM 0 HZ3 LYS A 70 -9.951 19.344 -0.278 1.00 5.48 H new ATOM 1067 N LYS A 71 -15.855 17.632 1.119 1.00 2.96 N ATOM 1068 CA LYS A 71 -16.464 16.670 0.231 1.00 2.86 C ATOM 1069 C LYS A 71 -16.433 17.181 -1.198 1.00 2.90 C ATOM 1070 O LYS A 71 -16.749 18.343 -1.465 1.00 3.09 O ATOM 1071 CB LYS A 71 -17.904 16.377 0.650 1.00 3.08 C ATOM 1072 CG LYS A 71 -18.023 15.657 1.981 1.00 3.27 C ATOM 1073 CD LYS A 71 -19.479 15.424 2.342 1.00 3.56 C ATOM 1074 CE LYS A 71 -20.169 16.700 2.780 1.00 3.84 C ATOM 1075 NZ LYS A 71 -19.567 17.272 4.012 1.00 4.42 N ATOM 0 H LYS A 71 -16.499 18.054 1.788 1.00 2.96 H new ATOM 0 HA LYS A 71 -15.893 15.744 0.291 1.00 2.86 H new ATOM 0 HB2 LYS A 71 -18.454 17.316 0.706 1.00 3.08 H new ATOM 0 HB3 LYS A 71 -18.381 15.774 -0.122 1.00 3.08 H new ATOM 0 HG2 LYS A 71 -17.499 14.702 1.931 1.00 3.27 H new ATOM 0 HG3 LYS A 71 -17.540 16.245 2.762 1.00 3.27 H new ATOM 0 HD2 LYS A 71 -20.003 15.006 1.482 1.00 3.56 H new ATOM 0 HD3 LYS A 71 -19.540 14.686 3.142 1.00 3.56 H new ATOM 0 HE2 LYS A 71 -20.114 17.434 1.977 1.00 3.84 H new ATOM 0 HE3 LYS A 71 -21.226 16.498 2.955 1.00 3.84 H new ATOM 0 HZ1 LYS A 71 -20.239 17.932 4.453 1.00 4.42 H new ATOM 0 HZ2 LYS A 71 -19.347 16.505 4.679 1.00 4.42 H new ATOM 0 HZ3 LYS A 71 -18.693 17.780 3.768 1.00 4.42 H new ATOM 1089 N ARG A 72 -16.032 16.310 -2.104 1.00 2.81 N ATOM 1090 CA ARG A 72 -15.973 16.643 -3.512 1.00 3.01 C ATOM 1091 C ARG A 72 -17.389 16.631 -4.082 1.00 3.30 C ATOM 1092 O ARG A 72 -18.322 16.218 -3.404 1.00 3.34 O ATOM 1093 CB ARG A 72 -15.052 15.659 -4.250 1.00 2.81 C ATOM 1094 CG ARG A 72 -15.769 14.515 -4.937 1.00 2.72 C ATOM 1095 CD ARG A 72 -14.820 13.726 -5.824 1.00 2.78 C ATOM 1096 NE ARG A 72 -14.157 14.582 -6.809 1.00 3.13 N ATOM 1097 CZ ARG A 72 -13.102 14.213 -7.535 1.00 3.60 C ATOM 1098 NH1 ARG A 72 -12.619 12.981 -7.437 1.00 3.79 N ATOM 1099 NH2 ARG A 72 -12.538 15.078 -8.370 1.00 4.27 N ATOM 0 H ARG A 72 -15.740 15.357 -1.886 1.00 2.81 H new ATOM 0 HA ARG A 72 -15.554 17.640 -3.647 1.00 3.01 H new ATOM 0 HB2 ARG A 72 -14.477 16.209 -4.995 1.00 2.81 H new ATOM 0 HB3 ARG A 72 -14.338 15.247 -3.537 1.00 2.81 H new ATOM 0 HG2 ARG A 72 -16.206 13.854 -4.188 1.00 2.72 H new ATOM 0 HG3 ARG A 72 -16.592 14.905 -5.536 1.00 2.72 H new ATOM 0 HD2 ARG A 72 -14.069 13.235 -5.206 1.00 2.78 H new ATOM 0 HD3 ARG A 72 -15.373 12.940 -6.339 1.00 2.78 H new ATOM 0 HE ARG A 72 -14.527 15.522 -6.949 1.00 3.13 H new ATOM 0 HH11 ARG A 72 -13.055 12.311 -6.804 1.00 3.79 H new ATOM 0 HH12 ARG A 72 -11.811 12.704 -7.995 1.00 3.79 H new ATOM 0 HH21 ARG A 72 -12.912 16.023 -8.455 1.00 4.27 H new ATOM 0 HH22 ARG A 72 -11.731 14.797 -8.926 1.00 4.27 H new ATOM 1113 N LYS A 73 -17.554 17.098 -5.306 1.00 3.60 N ATOM 1114 CA LYS A 73 -18.880 17.242 -5.897 1.00 3.94 C ATOM 1115 C LYS A 73 -18.872 16.897 -7.383 1.00 4.08 C ATOM 1116 O LYS A 73 -17.885 17.125 -8.082 1.00 4.10 O ATOM 1117 CB LYS A 73 -19.421 18.652 -5.672 1.00 4.37 C ATOM 1118 CG LYS A 73 -18.376 19.653 -5.228 1.00 4.48 C ATOM 1119 CD LYS A 73 -17.415 20.008 -6.348 1.00 4.57 C ATOM 1120 CE LYS A 73 -16.153 20.654 -5.807 1.00 4.59 C ATOM 1121 NZ LYS A 73 -16.437 21.919 -5.079 1.00 5.09 N ATOM 0 H LYS A 73 -16.787 17.386 -5.914 1.00 3.60 H new ATOM 0 HA LYS A 73 -19.542 16.534 -5.398 1.00 3.94 H new ATOM 0 HB2 LYS A 73 -19.878 19.006 -6.596 1.00 4.37 H new ATOM 0 HB3 LYS A 73 -20.211 18.611 -4.922 1.00 4.37 H new ATOM 0 HG2 LYS A 73 -18.869 20.558 -4.873 1.00 4.48 H new ATOM 0 HG3 LYS A 73 -17.817 19.244 -4.387 1.00 4.48 H new ATOM 0 HD2 LYS A 73 -17.155 19.108 -6.906 1.00 4.57 H new ATOM 0 HD3 LYS A 73 -17.903 20.687 -7.047 1.00 4.57 H new ATOM 0 HE2 LYS A 73 -15.648 19.957 -5.138 1.00 4.59 H new ATOM 0 HE3 LYS A 73 -15.469 20.857 -6.631 1.00 4.59 H new ATOM 0 HZ1 LYS A 73 -15.542 22.394 -4.846 1.00 5.09 H new ATOM 0 HZ2 LYS A 73 -17.013 22.543 -5.679 1.00 5.09 H new ATOM 0 HZ3 LYS A 73 -16.955 21.706 -4.203 1.00 5.09 H new ATOM 1135 N ASP A 74 -19.990 16.349 -7.847 1.00 4.26 N ATOM 1136 CA ASP A 74 -20.116 15.846 -9.211 1.00 4.45 C ATOM 1137 C ASP A 74 -20.494 16.970 -10.174 1.00 4.86 C ATOM 1138 O ASP A 74 -20.277 18.145 -9.875 1.00 4.98 O ATOM 1139 CB ASP A 74 -21.180 14.753 -9.252 1.00 4.49 C ATOM 1140 CG ASP A 74 -20.883 13.672 -10.275 1.00 4.58 C ATOM 1141 OD1 ASP A 74 -21.160 13.895 -11.471 1.00 4.91 O ATOM 1142 OD2 ASP A 74 -20.372 12.597 -9.889 1.00 4.39 O ATOM 0 H ASP A 74 -20.836 16.241 -7.287 1.00 4.26 H new ATOM 0 HA ASP A 74 -19.154 15.438 -9.522 1.00 4.45 H new ATOM 0 HB2 ASP A 74 -21.263 14.298 -8.265 1.00 4.49 H new ATOM 0 HB3 ASP A 74 -22.147 15.203 -9.478 1.00 4.49 H new ATOM 1147 N ASN A 75 -21.078 16.607 -11.311 1.00 5.14 N ATOM 1148 CA ASN A 75 -21.410 17.554 -12.367 1.00 5.57 C ATOM 1149 C ASN A 75 -22.339 18.668 -11.880 1.00 5.81 C ATOM 1150 O ASN A 75 -22.273 19.792 -12.370 1.00 6.14 O ATOM 1151 CB ASN A 75 -22.054 16.810 -13.537 1.00 5.82 C ATOM 1152 CG ASN A 75 -22.320 17.703 -14.734 1.00 6.19 C ATOM 1153 OD1 ASN A 75 -21.474 17.844 -15.617 1.00 6.35 O ATOM 1154 ND2 ASN A 75 -23.497 18.303 -14.785 1.00 6.68 N ATOM 0 H ASN A 75 -21.335 15.644 -11.526 1.00 5.14 H new ATOM 0 HA ASN A 75 -20.483 18.028 -12.689 1.00 5.57 H new ATOM 0 HB2 ASN A 75 -21.404 15.989 -13.840 1.00 5.82 H new ATOM 0 HB3 ASN A 75 -22.993 16.367 -13.206 1.00 5.82 H new ATOM 0 HD21 ASN A 75 -23.728 18.906 -15.575 1.00 6.68 H new ATOM 0 HD22 ASN A 75 -24.174 18.163 -14.035 1.00 6.68 H new ATOM 1161 N GLU A 76 -23.191 18.372 -10.900 1.00 5.70 N ATOM 1162 CA GLU A 76 -24.167 19.350 -10.452 1.00 6.00 C ATOM 1163 C GLU A 76 -23.584 20.207 -9.348 1.00 5.89 C ATOM 1164 O GLU A 76 -24.122 21.256 -8.991 1.00 6.16 O ATOM 1165 CB GLU A 76 -25.430 18.657 -9.965 1.00 6.08 C ATOM 1166 CG GLU A 76 -26.073 17.813 -11.038 1.00 6.28 C ATOM 1167 CD GLU A 76 -26.473 18.619 -12.249 1.00 6.80 C ATOM 1168 OE1 GLU A 76 -27.458 19.383 -12.157 1.00 7.13 O ATOM 1169 OE2 GLU A 76 -25.815 18.489 -13.298 1.00 7.08 O ATOM 0 H GLU A 76 -23.222 17.477 -10.411 1.00 5.70 H new ATOM 0 HA GLU A 76 -24.425 19.991 -11.295 1.00 6.00 H new ATOM 0 HB2 GLU A 76 -25.189 18.028 -9.108 1.00 6.08 H new ATOM 0 HB3 GLU A 76 -26.143 19.406 -9.620 1.00 6.08 H new ATOM 0 HG2 GLU A 76 -25.380 17.028 -11.341 1.00 6.28 H new ATOM 0 HG3 GLU A 76 -26.954 17.319 -10.628 1.00 6.28 H new ATOM 1176 N GLY A 77 -22.471 19.742 -8.811 1.00 5.53 N ATOM 1177 CA GLY A 77 -21.853 20.425 -7.693 1.00 5.43 C ATOM 1178 C GLY A 77 -22.463 19.937 -6.408 1.00 5.30 C ATOM 1179 O GLY A 77 -22.585 20.664 -5.427 1.00 5.44 O ATOM 0 H GLY A 77 -21.982 18.904 -9.127 1.00 5.53 H new ATOM 0 HA2 GLY A 77 -20.778 20.242 -7.690 1.00 5.43 H new ATOM 0 HA3 GLY A 77 -21.993 21.502 -7.789 1.00 5.43 H new ATOM 1183 N ASN A 78 -22.837 18.675 -6.441 1.00 5.12 N ATOM 1184 CA ASN A 78 -23.615 18.052 -5.392 1.00 5.11 C ATOM 1185 C ASN A 78 -22.711 17.531 -4.271 1.00 4.81 C ATOM 1186 O ASN A 78 -22.418 18.264 -3.328 1.00 5.14 O ATOM 1187 CB ASN A 78 -24.463 16.947 -6.034 1.00 5.08 C ATOM 1188 CG ASN A 78 -23.698 16.212 -7.095 1.00 5.24 C ATOM 1189 OD1 ASN A 78 -22.517 15.922 -6.947 1.00 5.62 O ATOM 1190 ND2 ASN A 78 -24.347 15.970 -8.201 1.00 5.20 N ATOM 0 H ASN A 78 -22.605 18.045 -7.209 1.00 5.12 H new ATOM 0 HA ASN A 78 -24.277 18.777 -4.918 1.00 5.11 H new ATOM 0 HB2 ASN A 78 -24.789 16.245 -5.267 1.00 5.08 H new ATOM 0 HB3 ASN A 78 -25.362 17.383 -6.469 1.00 5.08 H new ATOM 0 HD21 ASN A 78 -23.871 15.523 -8.984 1.00 5.20 H new ATOM 0 HD22 ASN A 78 -25.330 16.228 -8.282 1.00 5.20 H new ATOM 1197 N GLU A 79 -22.251 16.288 -4.392 1.00 4.33 N ATOM 1198 CA GLU A 79 -21.270 15.720 -3.477 1.00 3.99 C ATOM 1199 C GLU A 79 -20.915 14.297 -3.885 1.00 3.71 C ATOM 1200 O GLU A 79 -21.789 13.480 -4.176 1.00 3.86 O ATOM 1201 CB GLU A 79 -21.746 15.742 -2.018 1.00 4.17 C ATOM 1202 CG GLU A 79 -23.024 14.987 -1.763 1.00 4.39 C ATOM 1203 CD GLU A 79 -23.351 14.901 -0.289 1.00 4.64 C ATOM 1204 OE1 GLU A 79 -23.821 15.908 0.279 1.00 5.00 O ATOM 1205 OE2 GLU A 79 -23.151 13.822 0.309 1.00 4.66 O ATOM 0 H GLU A 79 -22.549 15.648 -5.128 1.00 4.33 H new ATOM 0 HA GLU A 79 -20.382 16.348 -3.542 1.00 3.99 H new ATOM 0 HB2 GLU A 79 -20.961 15.325 -1.387 1.00 4.17 H new ATOM 0 HB3 GLU A 79 -21.884 16.779 -1.711 1.00 4.17 H new ATOM 0 HG2 GLU A 79 -23.844 15.477 -2.288 1.00 4.39 H new ATOM 0 HG3 GLU A 79 -22.938 13.981 -2.174 1.00 4.39 H new ATOM 1212 N VAL A 80 -19.625 14.028 -3.951 1.00 3.33 N ATOM 1213 CA VAL A 80 -19.121 12.683 -4.163 1.00 3.02 C ATOM 1214 C VAL A 80 -18.125 12.368 -3.069 1.00 2.68 C ATOM 1215 O VAL A 80 -17.440 13.264 -2.576 1.00 2.62 O ATOM 1216 CB VAL A 80 -18.388 12.519 -5.509 1.00 2.92 C ATOM 1217 CG1 VAL A 80 -18.345 11.057 -5.932 1.00 2.77 C ATOM 1218 CG2 VAL A 80 -19.012 13.378 -6.593 1.00 3.31 C ATOM 0 H VAL A 80 -18.896 14.735 -3.859 1.00 3.33 H new ATOM 0 HA VAL A 80 -19.982 12.014 -4.159 1.00 3.02 H new ATOM 0 HB VAL A 80 -17.363 12.862 -5.367 1.00 2.92 H new ATOM 0 HG11 VAL A 80 -17.823 10.969 -6.885 1.00 2.77 H new ATOM 0 HG12 VAL A 80 -17.820 10.475 -5.175 1.00 2.77 H new ATOM 0 HG13 VAL A 80 -19.362 10.679 -6.040 1.00 2.77 H new ATOM 0 HG21 VAL A 80 -18.469 13.236 -7.527 1.00 3.31 H new ATOM 0 HG22 VAL A 80 -20.054 13.089 -6.731 1.00 3.31 H new ATOM 0 HG23 VAL A 80 -18.962 14.427 -6.300 1.00 3.31 H new ATOM 1228 N VAL A 81 -18.043 11.118 -2.683 1.00 2.52 N ATOM 1229 CA VAL A 81 -17.021 10.704 -1.748 1.00 2.22 C ATOM 1230 C VAL A 81 -15.967 9.865 -2.466 1.00 1.84 C ATOM 1231 O VAL A 81 -16.152 8.673 -2.730 1.00 1.82 O ATOM 1232 CB VAL A 81 -17.610 9.957 -0.525 1.00 2.45 C ATOM 1233 CG1 VAL A 81 -18.477 8.778 -0.951 1.00 2.77 C ATOM 1234 CG2 VAL A 81 -16.498 9.505 0.411 1.00 2.45 C ATOM 0 H VAL A 81 -18.665 10.374 -2.998 1.00 2.52 H new ATOM 0 HA VAL A 81 -16.544 11.601 -1.354 1.00 2.22 H new ATOM 0 HB VAL A 81 -18.252 10.654 0.013 1.00 2.45 H new ATOM 0 HG11 VAL A 81 -18.872 8.279 -0.066 1.00 2.77 H new ATOM 0 HG12 VAL A 81 -19.303 9.137 -1.565 1.00 2.77 H new ATOM 0 HG13 VAL A 81 -17.876 8.074 -1.527 1.00 2.77 H new ATOM 0 HG21 VAL A 81 -16.931 8.982 1.264 1.00 2.45 H new ATOM 0 HG22 VAL A 81 -15.824 8.834 -0.122 1.00 2.45 H new ATOM 0 HG23 VAL A 81 -15.942 10.374 0.762 1.00 2.45 H new ATOM 1244 N PRO A 82 -14.855 10.511 -2.836 1.00 1.62 N ATOM 1245 CA PRO A 82 -13.773 9.867 -3.572 1.00 1.35 C ATOM 1246 C PRO A 82 -12.988 8.879 -2.722 1.00 1.10 C ATOM 1247 O PRO A 82 -12.733 9.116 -1.538 1.00 1.10 O ATOM 1248 CB PRO A 82 -12.892 11.036 -3.990 1.00 1.48 C ATOM 1249 CG PRO A 82 -13.145 12.082 -2.972 1.00 1.62 C ATOM 1250 CD PRO A 82 -14.567 11.932 -2.570 1.00 1.78 C ATOM 0 HA PRO A 82 -14.146 9.274 -4.407 1.00 1.35 H new ATOM 0 HB2 PRO A 82 -11.840 10.751 -4.012 1.00 1.48 H new ATOM 0 HB3 PRO A 82 -13.148 11.387 -4.990 1.00 1.48 H new ATOM 0 HG2 PRO A 82 -12.483 11.959 -2.115 1.00 1.62 H new ATOM 0 HG3 PRO A 82 -12.958 13.076 -3.380 1.00 1.62 H new ATOM 0 HD2 PRO A 82 -14.715 12.181 -1.519 1.00 1.78 H new ATOM 0 HD3 PRO A 82 -15.218 12.588 -3.148 1.00 1.78 H new ATOM 1258 N LYS A 83 -12.625 7.763 -3.330 1.00 1.01 N ATOM 1259 CA LYS A 83 -11.795 6.773 -2.676 1.00 0.88 C ATOM 1260 C LYS A 83 -10.338 7.196 -2.721 1.00 0.75 C ATOM 1261 O LYS A 83 -9.854 7.707 -3.736 1.00 0.79 O ATOM 1262 CB LYS A 83 -11.990 5.396 -3.319 1.00 0.99 C ATOM 1263 CG LYS A 83 -10.827 4.429 -3.135 1.00 1.56 C ATOM 1264 CD LYS A 83 -11.077 3.107 -3.849 1.00 2.07 C ATOM 1265 CE LYS A 83 -10.971 3.245 -5.361 1.00 2.35 C ATOM 1266 NZ LYS A 83 -9.576 3.517 -5.804 1.00 3.11 N ATOM 0 H LYS A 83 -12.896 7.521 -4.283 1.00 1.01 H new ATOM 0 HA LYS A 83 -12.096 6.699 -1.631 1.00 0.88 H new ATOM 0 HB2 LYS A 83 -12.890 4.942 -2.904 1.00 0.99 H new ATOM 0 HB3 LYS A 83 -12.165 5.532 -4.386 1.00 0.99 H new ATOM 0 HG2 LYS A 83 -9.913 4.882 -3.518 1.00 1.56 H new ATOM 0 HG3 LYS A 83 -10.671 4.245 -2.072 1.00 1.56 H new ATOM 0 HD2 LYS A 83 -10.357 2.366 -3.502 1.00 2.07 H new ATOM 0 HD3 LYS A 83 -12.068 2.736 -3.588 1.00 2.07 H new ATOM 0 HE2 LYS A 83 -11.329 2.330 -5.834 1.00 2.35 H new ATOM 0 HE3 LYS A 83 -11.621 4.053 -5.697 1.00 2.35 H new ATOM 0 HZ1 LYS A 83 -9.511 3.403 -6.836 1.00 3.11 H new ATOM 0 HZ2 LYS A 83 -9.313 4.490 -5.546 1.00 3.11 H new ATOM 0 HZ3 LYS A 83 -8.928 2.849 -5.340 1.00 3.11 H new ATOM 1280 N PRO A 84 -9.639 7.013 -1.599 1.00 0.64 N ATOM 1281 CA PRO A 84 -8.219 7.320 -1.492 1.00 0.54 C ATOM 1282 C PRO A 84 -7.397 6.539 -2.503 1.00 0.52 C ATOM 1283 O PRO A 84 -7.627 5.347 -2.710 1.00 0.57 O ATOM 1284 CB PRO A 84 -7.836 6.875 -0.083 1.00 0.48 C ATOM 1285 CG PRO A 84 -9.110 6.696 0.666 1.00 0.56 C ATOM 1286 CD PRO A 84 -10.202 6.483 -0.349 1.00 0.67 C ATOM 0 HA PRO A 84 -8.029 8.376 -1.683 1.00 0.54 H new ATOM 0 HB2 PRO A 84 -7.269 5.945 -0.111 1.00 0.48 H new ATOM 0 HB3 PRO A 84 -7.203 7.620 0.400 1.00 0.48 H new ATOM 0 HG2 PRO A 84 -9.042 5.843 1.341 1.00 0.56 H new ATOM 0 HG3 PRO A 84 -9.321 7.572 1.279 1.00 0.56 H new ATOM 0 HD2 PRO A 84 -10.458 5.428 -0.443 1.00 0.67 H new ATOM 0 HD3 PRO A 84 -11.115 7.009 -0.069 1.00 0.67 H new ATOM 1294 N GLN A 85 -6.441 7.202 -3.131 1.00 0.51 N ATOM 1295 CA GLN A 85 -5.576 6.523 -4.080 1.00 0.52 C ATOM 1296 C GLN A 85 -4.587 5.644 -3.329 1.00 0.43 C ATOM 1297 O GLN A 85 -3.748 6.108 -2.555 1.00 0.54 O ATOM 1298 CB GLN A 85 -4.868 7.508 -5.028 1.00 0.62 C ATOM 1299 CG GLN A 85 -3.745 8.302 -4.392 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.232 9.260 -3.329 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -4.545 10.414 -3.612 1.00 1.78 O ATOM 1302 NE2 GLN A 85 -4.304 8.779 -2.101 1.00 0.97 N ATOM 0 H GLN A 85 -6.246 8.195 -3.004 1.00 0.51 H new ATOM 0 HA GLN A 85 -6.193 5.888 -4.717 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.467 6.951 -5.875 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -5.607 8.204 -5.425 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -3.024 7.613 -3.951 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -3.219 8.862 -5.165 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -4.033 7.813 -1.915 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -4.631 9.373 -1.339 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.737 4.363 -3.529 1.00 0.31 N ATOM 1312 CA ARG A 86 -3.898 3.386 -2.874 1.00 0.27 C ATOM 1313 C ARG A 86 -3.038 2.668 -3.898 1.00 0.26 C ATOM 1314 O ARG A 86 -3.450 2.451 -5.035 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.754 2.404 -2.068 1.00 0.36 C ATOM 1316 CG ARG A 86 -5.943 1.868 -2.842 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.902 1.116 -1.954 1.00 0.54 C ATOM 1318 NE ARG A 86 -7.931 0.417 -2.723 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.225 0.400 -2.407 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.670 1.106 -1.376 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.075 -0.314 -3.134 1.00 2.29 N ATOM 0 H ARG A 86 -5.442 3.963 -4.149 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.233 3.894 -2.176 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.131 1.569 -1.748 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -5.111 2.900 -1.165 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.466 2.695 -3.322 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -5.592 1.209 -3.636 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.349 0.396 -1.351 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.377 1.812 -1.263 1.00 0.54 H new ATOM 0 HE ARG A 86 -7.638 -0.092 -3.557 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -9.021 1.664 -0.822 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.662 1.090 -1.137 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -9.737 -0.849 -3.934 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -11.066 -0.328 -2.893 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.842 2.322 -3.483 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.827 1.813 -4.380 1.00 0.18 C ATOM 1337 C HIS A 87 -0.540 0.359 -4.052 1.00 0.15 C ATOM 1338 O HIS A 87 0.022 0.063 -3.005 1.00 0.14 O ATOM 1339 CB HIS A 87 0.445 2.652 -4.203 1.00 0.21 C ATOM 1340 CG HIS A 87 0.192 4.131 -4.149 1.00 0.28 C ATOM 1341 ND1 HIS A 87 0.343 5.010 -3.132 1.00 0.41 N flip ATOM 1342 CD2 HIS A 87 -0.299 4.861 -5.210 1.00 0.36 C flip ATOM 1343 CE1 HIS A 87 -0.051 6.239 -3.591 1.00 0.50 C flip ATOM 1344 NE2 HIS A 87 -0.434 6.125 -4.845 1.00 0.47 N flip ATOM 0 H HIS A 87 -1.543 2.385 -2.510 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.171 1.877 -5.412 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.947 2.345 -3.286 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.127 2.439 -5.026 1.00 0.21 H new ATOM 0 HD2 HIS A 87 -0.536 4.463 -6.186 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.048 7.154 -3.017 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.777 6.883 -5.435 1.00 0.47 H new ATOM 1353 N MET A 88 -0.902 -0.546 -4.938 1.00 0.16 N ATOM 1354 CA MET A 88 -0.727 -1.960 -4.653 1.00 0.15 C ATOM 1355 C MET A 88 0.451 -2.535 -5.412 1.00 0.20 C ATOM 1356 O MET A 88 0.535 -2.423 -6.635 1.00 0.30 O ATOM 1357 CB MET A 88 -1.978 -2.769 -4.977 1.00 0.20 C ATOM 1358 CG MET A 88 -1.821 -4.226 -4.592 1.00 0.23 C ATOM 1359 SD MET A 88 -3.166 -5.285 -5.173 1.00 0.32 S ATOM 1360 CE MET A 88 -4.510 -4.771 -4.106 1.00 0.42 C ATOM 0 H MET A 88 -1.313 -0.336 -5.848 1.00 0.16 H new ATOM 0 HA MET A 88 -0.535 -2.034 -3.583 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.832 -2.344 -4.450 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.192 -2.696 -6.043 1.00 0.20 H new ATOM 0 HG2 MET A 88 -0.879 -4.598 -4.994 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.756 -4.300 -3.506 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.234 -5.581 -4.018 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.118 -4.526 -3.119 1.00 0.42 H new ATOM 0 HE3 MET A 88 -4.997 -3.893 -4.531 1.00 0.42 H new ATOM 1370 N PHE A 89 1.357 -3.161 -4.680 1.00 0.18 N ATOM 1371 CA PHE A 89 2.508 -3.790 -5.277 1.00 0.28 C ATOM 1372 C PHE A 89 2.432 -5.284 -5.040 1.00 0.31 C ATOM 1373 O PHE A 89 2.358 -5.744 -3.899 1.00 0.43 O ATOM 1374 CB PHE A 89 3.784 -3.226 -4.659 1.00 0.34 C ATOM 1375 CG PHE A 89 3.601 -1.842 -4.111 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.560 -0.753 -4.963 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.489 -1.628 -2.748 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.406 0.523 -4.469 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.337 -0.352 -2.247 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.233 0.709 -3.089 1.00 1.33 C ATOM 0 H PHE A 89 1.311 -3.244 -3.664 1.00 0.18 H new ATOM 0 HA PHE A 89 2.522 -3.592 -6.349 1.00 0.28 H new ATOM 0 HB2 PHE A 89 4.118 -3.887 -3.860 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.572 -3.213 -5.412 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.650 -0.905 -6.028 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.521 -2.468 -2.070 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.418 1.372 -5.137 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.300 -0.195 -1.179 1.00 1.26 H new ATOM 0 HZ PHE A 89 3.018 1.692 -2.698 1.00 1.33 H new ATOM 1390 N SER A 90 2.445 -6.033 -6.113 1.00 0.26 N ATOM 1391 CA SER A 90 2.358 -7.469 -6.033 1.00 0.26 C ATOM 1392 C SER A 90 3.751 -8.080 -5.918 1.00 0.23 C ATOM 1393 O SER A 90 4.621 -7.829 -6.748 1.00 0.24 O ATOM 1394 CB SER A 90 1.625 -8.011 -7.263 1.00 0.28 C ATOM 1395 OG SER A 90 0.381 -7.351 -7.449 1.00 0.94 O ATOM 0 H SER A 90 2.516 -5.667 -7.062 1.00 0.26 H new ATOM 0 HA SER A 90 1.795 -7.744 -5.141 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.247 -7.878 -8.148 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.458 -9.082 -7.148 1.00 0.28 H new ATOM 0 HG SER A 90 -0.067 -7.714 -8.242 1.00 0.94 H new ATOM 1401 N PHE A 91 3.957 -8.862 -4.873 1.00 0.21 N ATOM 1402 CA PHE A 91 5.201 -9.596 -4.705 1.00 0.21 C ATOM 1403 C PHE A 91 4.965 -11.071 -4.966 1.00 0.23 C ATOM 1404 O PHE A 91 3.832 -11.498 -5.196 1.00 0.28 O ATOM 1405 CB PHE A 91 5.773 -9.412 -3.293 1.00 0.30 C ATOM 1406 CG PHE A 91 6.523 -8.126 -3.114 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.690 -7.893 -3.818 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.067 -7.152 -2.246 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.388 -6.713 -3.661 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.760 -5.969 -2.085 1.00 1.29 C ATOM 1411 CZ PHE A 91 7.922 -5.750 -2.794 1.00 1.33 C ATOM 0 H PHE A 91 3.278 -9.006 -4.126 1.00 0.21 H new ATOM 0 HA PHE A 91 5.923 -9.202 -5.420 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.957 -9.451 -2.571 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.438 -10.246 -3.068 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.060 -8.644 -4.500 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.158 -7.318 -1.687 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.298 -6.545 -4.217 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.392 -5.216 -1.404 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.466 -4.825 -2.670 1.00 1.33 H new ATOM 1421 N ASN A 92 6.035 -11.842 -4.966 1.00 0.31 N ATOM 1422 CA ASN A 92 5.931 -13.264 -5.217 1.00 0.39 C ATOM 1423 C ASN A 92 6.511 -14.044 -4.051 1.00 0.35 C ATOM 1424 O ASN A 92 6.427 -15.271 -4.009 1.00 0.42 O ATOM 1425 CB ASN A 92 6.658 -13.633 -6.513 1.00 0.51 C ATOM 1426 CG ASN A 92 6.148 -12.855 -7.715 1.00 0.80 C ATOM 1427 OD1 ASN A 92 6.684 -11.801 -8.063 1.00 1.53 O ATOM 1428 ND2 ASN A 92 5.103 -13.358 -8.353 1.00 1.27 N ATOM 0 H ASN A 92 6.983 -11.508 -4.795 1.00 0.31 H new ATOM 0 HA ASN A 92 4.877 -13.522 -5.325 1.00 0.39 H new ATOM 0 HB2 ASN A 92 7.725 -13.447 -6.391 1.00 0.51 H new ATOM 0 HB3 ASN A 92 6.540 -14.700 -6.700 1.00 0.51 H new ATOM 0 HD21 ASN A 92 4.716 -12.871 -9.161 1.00 1.27 H new ATOM 0 HD22 ASN A 92 4.685 -14.233 -8.037 1.00 1.27 H new ATOM 1435 N ASN A 93 7.091 -13.325 -3.097 1.00 0.30 N ATOM 1436 CA ASN A 93 7.725 -13.960 -1.954 1.00 0.32 C ATOM 1437 C ASN A 93 7.210 -13.380 -0.651 1.00 0.28 C ATOM 1438 O ASN A 93 7.080 -12.163 -0.495 1.00 0.23 O ATOM 1439 CB ASN A 93 9.241 -13.795 -2.032 1.00 0.37 C ATOM 1440 CG ASN A 93 9.956 -14.419 -0.848 1.00 0.44 C ATOM 1441 OD1 ASN A 93 10.254 -13.742 0.131 1.00 0.71 O ATOM 1442 ND2 ASN A 93 10.217 -15.710 -0.920 1.00 0.83 N ATOM 0 H ASN A 93 7.134 -12.306 -3.094 1.00 0.30 H new ATOM 0 HA ASN A 93 7.477 -15.021 -1.979 1.00 0.32 H new ATOM 0 HB2 ASN A 93 9.606 -14.250 -2.953 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.486 -12.734 -2.082 1.00 0.37 H new ATOM 0 HD21 ASN A 93 10.683 -16.180 -0.144 1.00 0.83 H new ATOM 0 HD22 ASN A 93 9.953 -16.238 -1.752 1.00 0.83 H new ATOM 1449 N ARG A 94 6.923 -14.283 0.279 1.00 0.34 N ATOM 1450 CA ARG A 94 6.315 -13.937 1.550 1.00 0.37 C ATOM 1451 C ARG A 94 7.254 -13.086 2.393 1.00 0.30 C ATOM 1452 O ARG A 94 6.820 -12.184 3.102 1.00 0.27 O ATOM 1453 CB ARG A 94 5.947 -15.212 2.315 1.00 0.57 C ATOM 1454 CG ARG A 94 5.376 -14.965 3.695 1.00 0.90 C ATOM 1455 CD ARG A 94 4.015 -14.321 3.606 1.00 0.71 C ATOM 1456 NE ARG A 94 3.480 -13.992 4.923 1.00 0.99 N ATOM 1457 CZ ARG A 94 2.294 -13.429 5.126 1.00 1.35 C ATOM 1458 NH1 ARG A 94 1.479 -13.210 4.104 1.00 2.16 N ATOM 1459 NH2 ARG A 94 1.915 -13.106 6.356 1.00 1.70 N ATOM 0 H ARG A 94 7.108 -15.280 0.168 1.00 0.34 H new ATOM 0 HA ARG A 94 5.414 -13.358 1.349 1.00 0.37 H new ATOM 0 HB2 ARG A 94 5.221 -15.777 1.730 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.836 -15.836 2.408 1.00 0.57 H new ATOM 0 HG2 ARG A 94 5.302 -15.908 4.237 1.00 0.90 H new ATOM 0 HG3 ARG A 94 6.050 -14.323 4.263 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.081 -13.414 3.005 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.328 -14.994 3.093 1.00 0.71 H new ATOM 0 HE ARG A 94 4.053 -14.208 5.739 1.00 0.99 H new ATOM 0 HH11 ARG A 94 1.762 -13.474 3.160 1.00 2.16 H new ATOM 0 HH12 ARG A 94 0.569 -12.778 4.261 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.534 -13.290 7.145 1.00 1.70 H new ATOM 0 HH22 ARG A 94 1.004 -12.674 6.512 1.00 1.70 H new ATOM 1473 N THR A 95 8.539 -13.370 2.287 1.00 0.30 N ATOM 1474 CA THR A 95 9.540 -12.703 3.097 1.00 0.27 C ATOM 1475 C THR A 95 9.813 -11.291 2.582 1.00 0.21 C ATOM 1476 O THR A 95 9.745 -10.331 3.339 1.00 0.18 O ATOM 1477 CB THR A 95 10.845 -13.515 3.119 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.599 -14.817 3.672 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.908 -12.798 3.927 1.00 0.32 C ATOM 0 H THR A 95 8.916 -14.064 1.642 1.00 0.30 H new ATOM 0 HA THR A 95 9.151 -12.629 4.113 1.00 0.27 H new ATOM 0 HB THR A 95 11.206 -13.622 2.096 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.433 -15.331 3.682 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.824 -13.390 3.930 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.107 -11.823 3.482 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.559 -12.665 4.951 1.00 0.32 H new ATOM 1487 N VAL A 96 10.121 -11.184 1.294 1.00 0.23 N ATOM 1488 CA VAL A 96 10.310 -9.891 0.631 1.00 0.21 C ATOM 1489 C VAL A 96 9.215 -8.912 1.004 1.00 0.19 C ATOM 1490 O VAL A 96 9.487 -7.824 1.508 1.00 0.19 O ATOM 1491 CB VAL A 96 10.293 -10.036 -0.904 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.453 -8.676 -1.568 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.382 -10.991 -1.365 1.00 0.29 C ATOM 0 H VAL A 96 10.247 -11.987 0.678 1.00 0.23 H new ATOM 0 HA VAL A 96 11.279 -9.520 0.965 1.00 0.21 H new ATOM 0 HB VAL A 96 9.330 -10.452 -1.200 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.439 -8.796 -2.651 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.634 -8.024 -1.264 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.401 -8.232 -1.264 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.353 -11.079 -2.451 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.355 -10.608 -1.058 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.220 -11.971 -0.917 1.00 0.29 H new ATOM 1503 N MET A 97 7.977 -9.301 0.759 1.00 0.19 N ATOM 1504 CA MET A 97 6.859 -8.424 1.040 1.00 0.19 C ATOM 1505 C MET A 97 6.718 -8.195 2.536 1.00 0.17 C ATOM 1506 O MET A 97 6.271 -7.137 2.962 1.00 0.19 O ATOM 1507 CB MET A 97 5.575 -8.982 0.435 1.00 0.21 C ATOM 1508 CG MET A 97 5.039 -10.233 1.101 1.00 0.22 C ATOM 1509 SD MET A 97 3.413 -10.012 1.848 1.00 0.29 S ATOM 1510 CE MET A 97 3.834 -9.368 3.455 1.00 0.17 C ATOM 0 H MET A 97 7.723 -10.209 0.370 1.00 0.19 H new ATOM 0 HA MET A 97 7.051 -7.457 0.576 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.807 -8.210 0.477 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.753 -9.198 -0.619 1.00 0.21 H new ATOM 0 HG2 MET A 97 4.985 -11.033 0.363 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.742 -10.555 1.869 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.967 -9.435 4.112 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.655 -9.949 3.876 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.138 -8.326 3.361 1.00 0.17 H new ATOM 1520 N ASP A 98 7.127 -9.171 3.340 1.00 0.16 N ATOM 1521 CA ASP A 98 7.092 -9.012 4.788 1.00 0.16 C ATOM 1522 C ASP A 98 8.090 -7.944 5.195 1.00 0.15 C ATOM 1523 O ASP A 98 7.856 -7.167 6.117 1.00 0.22 O ATOM 1524 CB ASP A 98 7.419 -10.330 5.490 1.00 0.21 C ATOM 1525 CG ASP A 98 7.418 -10.200 6.999 1.00 0.30 C ATOM 1526 OD1 ASP A 98 6.325 -10.055 7.586 1.00 0.38 O ATOM 1527 OD2 ASP A 98 8.511 -10.241 7.603 1.00 0.39 O ATOM 0 H ASP A 98 7.483 -10.071 3.017 1.00 0.16 H new ATOM 0 HA ASP A 98 6.088 -8.712 5.087 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.692 -11.086 5.193 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.397 -10.681 5.160 1.00 0.21 H new ATOM 1532 N ASN A 99 9.177 -7.890 4.444 1.00 0.12 N ATOM 1533 CA ASN A 99 10.264 -6.957 4.693 1.00 0.13 C ATOM 1534 C ASN A 99 9.858 -5.566 4.251 1.00 0.15 C ATOM 1535 O ASN A 99 9.976 -4.599 4.996 1.00 0.24 O ATOM 1536 CB ASN A 99 11.508 -7.398 3.915 1.00 0.22 C ATOM 1537 CG ASN A 99 12.136 -8.656 4.466 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.568 -9.535 3.577 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 12.211 -8.853 5.681 1.00 0.50 N flip ATOM 0 H ASN A 99 9.332 -8.496 3.639 1.00 0.12 H new ATOM 0 HA ASN A 99 10.488 -6.945 5.760 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.238 -7.561 2.872 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.244 -6.594 3.932 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.866 -8.149 6.334 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.618 -9.720 6.033 1.00 0.50 H new ATOM 1546 N ILE A 100 9.376 -5.488 3.025 1.00 0.12 N ATOM 1547 CA ILE A 100 8.880 -4.247 2.457 1.00 0.12 C ATOM 1548 C ILE A 100 7.775 -3.659 3.329 1.00 0.11 C ATOM 1549 O ILE A 100 7.838 -2.497 3.733 1.00 0.13 O ATOM 1550 CB ILE A 100 8.339 -4.500 1.038 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.472 -4.941 0.122 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.678 -3.253 0.477 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.506 -3.866 -0.095 1.00 0.11 C ATOM 0 H ILE A 100 9.317 -6.286 2.392 1.00 0.12 H new ATOM 0 HA ILE A 100 9.705 -3.536 2.411 1.00 0.12 H new ATOM 0 HB ILE A 100 7.590 -5.289 1.094 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.954 -5.821 0.548 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.058 -5.239 -0.841 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.305 -3.459 -0.526 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.848 -2.960 1.120 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.406 -2.443 0.434 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.287 -4.241 -0.756 1.00 0.11 H new ATOM 0 HD12 ILE A 100 10.035 -2.994 -0.548 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.945 -3.585 0.862 1.00 0.11 H new ATOM 1565 N LYS A 101 6.777 -4.484 3.630 1.00 0.11 N ATOM 1566 CA LYS A 101 5.669 -4.086 4.482 1.00 0.12 C ATOM 1567 C LYS A 101 6.164 -3.580 5.838 1.00 0.11 C ATOM 1568 O LYS A 101 5.767 -2.508 6.292 1.00 0.14 O ATOM 1569 CB LYS A 101 4.730 -5.280 4.677 1.00 0.18 C ATOM 1570 CG LYS A 101 3.786 -5.155 5.857 1.00 0.89 C ATOM 1571 CD LYS A 101 3.611 -6.490 6.570 1.00 0.75 C ATOM 1572 CE LYS A 101 4.706 -6.725 7.604 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.648 -8.094 8.183 1.00 1.11 N ATOM 0 H LYS A 101 6.716 -5.444 3.290 1.00 0.11 H new ATOM 0 HA LYS A 101 5.134 -3.269 3.998 1.00 0.12 H new ATOM 0 HB2 LYS A 101 4.141 -5.414 3.770 1.00 0.18 H new ATOM 0 HB3 LYS A 101 5.331 -6.181 4.803 1.00 0.18 H new ATOM 0 HG2 LYS A 101 4.172 -4.414 6.557 1.00 0.89 H new ATOM 0 HG3 LYS A 101 2.817 -4.794 5.513 1.00 0.89 H new ATOM 0 HD2 LYS A 101 2.637 -6.516 7.059 1.00 0.75 H new ATOM 0 HD3 LYS A 101 3.622 -7.298 5.838 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.680 -6.569 7.141 1.00 0.42 H new ATOM 0 HE3 LYS A 101 4.612 -5.990 8.403 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 4.438 -8.032 9.200 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.902 -8.641 7.708 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 5.564 -8.567 8.047 1.00 1.11 H new ATOM 1587 N MET A 102 7.045 -4.348 6.475 1.00 0.09 N ATOM 1588 CA MET A 102 7.523 -4.006 7.811 1.00 0.09 C ATOM 1589 C MET A 102 8.401 -2.758 7.760 1.00 0.09 C ATOM 1590 O MET A 102 8.535 -2.041 8.749 1.00 0.12 O ATOM 1591 CB MET A 102 8.275 -5.193 8.441 1.00 0.10 C ATOM 1592 CG MET A 102 9.700 -5.397 7.944 1.00 0.16 C ATOM 1593 SD MET A 102 10.916 -4.384 8.805 1.00 0.88 S ATOM 1594 CE MET A 102 10.793 -5.053 10.461 1.00 1.17 C ATOM 0 H MET A 102 7.440 -5.206 6.090 1.00 0.09 H new ATOM 0 HA MET A 102 6.662 -3.786 8.442 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.301 -5.053 9.522 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.707 -6.104 8.251 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.969 -6.447 8.057 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.740 -5.171 6.878 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.746 -4.928 10.975 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.013 -4.525 11.010 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.545 -6.113 10.408 1.00 1.17 H new ATOM 1604 N THR A 103 8.983 -2.500 6.598 1.00 0.08 N ATOM 1605 CA THR A 103 9.772 -1.306 6.384 1.00 0.08 C ATOM 1606 C THR A 103 8.878 -0.078 6.421 1.00 0.08 C ATOM 1607 O THR A 103 9.125 0.875 7.163 1.00 0.09 O ATOM 1608 CB THR A 103 10.485 -1.362 5.019 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.448 -2.422 5.005 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.166 -0.050 4.702 1.00 0.11 C ATOM 0 H THR A 103 8.920 -3.111 5.784 1.00 0.08 H new ATOM 0 HA THR A 103 10.518 -1.247 7.177 1.00 0.08 H new ATOM 0 HB THR A 103 9.729 -1.550 4.256 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.009 -3.260 4.748 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.660 -0.121 3.733 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.424 0.748 4.673 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.906 0.171 5.471 1.00 0.11 H new ATOM 1618 N LEU A 104 7.820 -0.133 5.629 1.00 0.08 N ATOM 1619 CA LEU A 104 6.922 0.989 5.471 1.00 0.09 C ATOM 1620 C LEU A 104 6.150 1.257 6.748 1.00 0.11 C ATOM 1621 O LEU A 104 6.177 2.360 7.262 1.00 0.13 O ATOM 1622 CB LEU A 104 5.940 0.712 4.333 1.00 0.09 C ATOM 1623 CG LEU A 104 6.562 0.427 2.965 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.637 -0.423 2.130 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.857 1.707 2.230 1.00 0.11 C ATOM 0 H LEU A 104 7.564 -0.955 5.082 1.00 0.08 H new ATOM 0 HA LEU A 104 7.521 1.870 5.237 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.321 -0.140 4.613 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.275 1.570 4.236 1.00 0.09 H new ATOM 0 HG LEU A 104 7.496 -0.109 3.132 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.096 -0.616 1.160 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.454 -1.369 2.639 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.692 0.101 1.986 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.299 1.476 1.261 1.00 0.11 H new ATOM 0 HD22 LEU A 104 5.932 2.264 2.084 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.555 2.309 2.813 1.00 0.11 H new ATOM 1637 N GLN A 105 5.446 0.244 7.230 1.00 0.12 N ATOM 1638 CA GLN A 105 4.673 0.338 8.479 1.00 0.18 C ATOM 1639 C GLN A 105 5.456 0.982 9.626 1.00 0.18 C ATOM 1640 O GLN A 105 4.867 1.664 10.464 1.00 0.22 O ATOM 1641 CB GLN A 105 4.178 -1.039 8.922 1.00 0.28 C ATOM 1642 CG GLN A 105 2.989 -1.545 8.126 1.00 0.39 C ATOM 1643 CD GLN A 105 2.478 -2.885 8.617 1.00 0.64 C ATOM 1644 OE1 GLN A 105 2.640 -3.238 9.781 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.825 -3.628 7.734 1.00 0.99 N ATOM 0 H GLN A 105 5.388 -0.667 6.775 1.00 0.12 H new ATOM 0 HA GLN A 105 3.825 0.985 8.253 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.995 -1.755 8.833 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.906 -0.996 9.977 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.184 -0.813 8.180 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.271 -1.632 7.077 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.712 -3.299 6.775 1.00 0.99 H new ATOM 0 HE22 GLN A 105 1.436 -4.529 8.014 1.00 0.99 H new ATOM 1654 N GLN A 106 6.775 0.797 9.656 1.00 0.17 N ATOM 1655 CA GLN A 106 7.591 1.377 10.709 1.00 0.20 C ATOM 1656 C GLN A 106 7.626 2.887 10.556 1.00 0.20 C ATOM 1657 O GLN A 106 7.768 3.636 11.518 1.00 0.36 O ATOM 1658 CB GLN A 106 8.995 0.812 10.642 1.00 0.25 C ATOM 1659 CG GLN A 106 9.169 -0.510 11.369 1.00 0.30 C ATOM 1660 CD GLN A 106 10.603 -0.993 11.342 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.395 -0.687 12.234 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.950 -1.748 10.319 1.00 0.47 N ATOM 0 H GLN A 106 7.294 0.253 8.966 1.00 0.17 H new ATOM 0 HA GLN A 106 7.158 1.129 11.678 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.271 0.678 9.596 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.688 1.540 11.064 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.844 -0.399 12.404 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.526 -1.262 10.912 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.264 -1.979 9.600 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.904 -2.101 10.246 1.00 0.47 H new ATOM 1671 N ILE A 107 7.469 3.303 9.319 1.00 0.13 N ATOM 1672 CA ILE A 107 7.429 4.697 8.937 1.00 0.13 C ATOM 1673 C ILE A 107 6.027 5.254 9.133 1.00 0.14 C ATOM 1674 O ILE A 107 5.836 6.359 9.631 1.00 0.17 O ATOM 1675 CB ILE A 107 7.776 4.813 7.444 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.153 4.204 7.159 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.691 6.252 6.986 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.426 3.955 5.694 1.00 0.14 C ATOM 0 H ILE A 107 7.363 2.665 8.531 1.00 0.13 H new ATOM 0 HA ILE A 107 8.138 5.252 9.551 1.00 0.13 H new ATOM 0 HB ILE A 107 7.043 4.245 6.871 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.921 4.869 7.553 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.240 3.261 7.699 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.940 6.312 5.927 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.679 6.624 7.142 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.393 6.858 7.559 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.420 3.523 5.577 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.682 3.264 5.297 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.373 4.897 5.149 1.00 0.14 H new ATOM 1690 N ILE A 108 5.054 4.470 8.717 1.00 0.13 N ATOM 1691 CA ILE A 108 3.659 4.868 8.771 1.00 0.17 C ATOM 1692 C ILE A 108 3.232 5.098 10.212 1.00 0.23 C ATOM 1693 O ILE A 108 2.757 6.174 10.563 1.00 0.29 O ATOM 1694 CB ILE A 108 2.792 3.778 8.108 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.481 3.348 6.808 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.365 4.255 7.873 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.574 3.162 5.620 1.00 0.15 C ATOM 0 H ILE A 108 5.206 3.538 8.331 1.00 0.13 H new ATOM 0 HA ILE A 108 3.526 5.804 8.229 1.00 0.17 H new ATOM 0 HB ILE A 108 2.705 2.919 8.773 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.234 4.093 6.554 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.008 2.411 6.990 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.787 3.458 7.405 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.909 4.522 8.826 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.376 5.127 7.220 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.164 2.858 4.756 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.835 2.392 5.843 1.00 0.15 H new ATOM 0 HD13 ILE A 108 2.065 4.101 5.400 1.00 0.15 H new ATOM 1709 N SER A 109 3.463 4.097 11.045 1.00 0.28 N ATOM 1710 CA SER A 109 3.185 4.186 12.476 1.00 0.37 C ATOM 1711 C SER A 109 3.981 5.333 13.092 1.00 0.37 C ATOM 1712 O SER A 109 3.557 5.957 14.064 1.00 0.43 O ATOM 1713 CB SER A 109 3.541 2.858 13.158 1.00 0.45 C ATOM 1714 OG SER A 109 3.307 2.904 14.557 1.00 1.22 O ATOM 0 H SER A 109 3.848 3.199 10.753 1.00 0.28 H new ATOM 0 HA SER A 109 2.123 4.382 12.624 1.00 0.37 H new ATOM 0 HB2 SER A 109 2.952 2.054 12.717 1.00 0.45 H new ATOM 0 HB3 SER A 109 4.589 2.624 12.972 1.00 0.45 H new ATOM 0 HG SER A 109 3.543 2.041 14.957 1.00 1.22 H new ATOM 1720 N ARG A 110 5.118 5.625 12.477 1.00 0.33 N ATOM 1721 CA ARG A 110 5.988 6.701 12.901 1.00 0.35 C ATOM 1722 C ARG A 110 5.329 8.049 12.619 1.00 0.38 C ATOM 1723 O ARG A 110 5.482 9.012 13.375 1.00 0.48 O ATOM 1724 CB ARG A 110 7.318 6.577 12.155 1.00 0.34 C ATOM 1725 CG ARG A 110 7.941 7.888 11.792 1.00 1.27 C ATOM 1726 CD ARG A 110 9.293 7.674 11.156 1.00 1.25 C ATOM 1727 NE ARG A 110 9.993 8.933 10.920 1.00 2.39 N ATOM 1728 CZ ARG A 110 11.287 9.022 10.628 1.00 2.70 C ATOM 1729 NH1 ARG A 110 12.032 7.927 10.558 1.00 1.97 N ATOM 1730 NH2 ARG A 110 11.835 10.210 10.409 1.00 3.79 N ATOM 0 H ARG A 110 5.461 5.115 11.663 1.00 0.33 H new ATOM 0 HA ARG A 110 6.170 6.636 13.974 1.00 0.35 H new ATOM 0 HB2 ARG A 110 8.017 6.014 12.773 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.159 5.998 11.245 1.00 0.34 H new ATOM 0 HG2 ARG A 110 7.291 8.428 11.104 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.046 8.506 12.683 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.900 7.037 11.800 1.00 1.25 H new ATOM 0 HD3 ARG A 110 9.169 7.146 10.211 1.00 1.25 H new ATOM 0 HE ARG A 110 9.456 9.798 10.983 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.613 7.013 10.728 1.00 1.97 H new ATOM 0 HH12 ARG A 110 13.024 7.999 10.334 1.00 1.97 H new ATOM 0 HH21 ARG A 110 11.264 11.053 10.465 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.828 10.280 10.185 1.00 3.79 H new ATOM 1744 N TYR A 111 4.580 8.101 11.528 1.00 0.34 N ATOM 1745 CA TYR A 111 3.919 9.318 11.112 1.00 0.41 C ATOM 1746 C TYR A 111 2.550 9.449 11.753 1.00 0.49 C ATOM 1747 O TYR A 111 2.079 10.554 11.995 1.00 0.60 O ATOM 1748 CB TYR A 111 3.819 9.382 9.591 1.00 0.37 C ATOM 1749 CG TYR A 111 5.055 9.976 8.963 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.241 11.350 8.913 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.047 9.163 8.452 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.385 11.893 8.362 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.196 9.693 7.904 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.360 11.058 7.861 1.00 0.48 C ATOM 1755 OH TYR A 111 8.507 11.590 7.324 1.00 0.55 O ATOM 0 H TYR A 111 4.417 7.304 10.913 1.00 0.34 H new ATOM 0 HA TYR A 111 4.522 10.160 11.451 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.660 8.378 9.197 1.00 0.37 H new ATOM 0 HB3 TYR A 111 2.950 9.976 9.310 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.480 12.005 9.311 1.00 0.48 H new ATOM 0 HD2 TYR A 111 5.921 8.091 8.482 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.515 12.965 8.324 1.00 0.53 H new ATOM 0 HE2 TYR A 111 7.962 9.041 7.511 1.00 0.40 H new ATOM 0 HH TYR A 111 9.091 10.865 7.017 1.00 0.55 H new ATOM 1765 N LYS A 112 1.924 8.322 12.051 1.00 0.51 N ATOM 1766 CA LYS A 112 0.637 8.330 12.737 1.00 0.63 C ATOM 1767 C LYS A 112 0.838 8.615 14.213 1.00 0.67 C ATOM 1768 O LYS A 112 -0.103 8.920 14.940 1.00 0.77 O ATOM 1769 CB LYS A 112 -0.087 7.003 12.531 1.00 0.72 C ATOM 1770 CG LYS A 112 -0.480 6.786 11.086 1.00 0.76 C ATOM 1771 CD LYS A 112 -0.084 5.410 10.592 1.00 0.65 C ATOM 1772 CE LYS A 112 -1.173 4.378 10.800 1.00 1.28 C ATOM 1773 NZ LYS A 112 -2.446 4.764 10.133 1.00 1.76 N ATOM 0 H LYS A 112 2.282 7.393 11.831 1.00 0.51 H new ATOM 0 HA LYS A 112 0.016 9.120 12.314 1.00 0.63 H new ATOM 0 HB2 LYS A 112 0.556 6.186 12.858 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -0.979 6.977 13.157 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -1.557 6.913 10.980 1.00 0.76 H new ATOM 0 HG3 LYS A 112 -0.007 7.545 10.463 1.00 0.76 H new ATOM 0 HD2 LYS A 112 0.160 5.466 9.531 1.00 0.65 H new ATOM 0 HD3 LYS A 112 0.819 5.088 11.110 1.00 0.65 H new ATOM 0 HE2 LYS A 112 -0.839 3.416 10.412 1.00 1.28 H new ATOM 0 HE3 LYS A 112 -1.349 4.248 11.868 1.00 1.28 H new ATOM 0 HZ1 LYS A 112 -3.101 3.956 10.140 1.00 1.76 H new ATOM 0 HZ2 LYS A 112 -2.876 5.563 10.642 1.00 1.76 H new ATOM 0 HZ3 LYS A 112 -2.252 5.044 9.150 1.00 1.76 H new ATOM 1787 N ASP A 113 2.085 8.507 14.643 1.00 0.64 N ATOM 1788 CA ASP A 113 2.472 8.898 15.988 1.00 0.72 C ATOM 1789 C ASP A 113 2.560 10.416 16.074 1.00 0.72 C ATOM 1790 O ASP A 113 2.451 11.002 17.150 1.00 0.80 O ATOM 1791 CB ASP A 113 3.820 8.271 16.350 1.00 0.78 C ATOM 1792 CG ASP A 113 4.226 8.530 17.786 1.00 1.16 C ATOM 1793 OD1 ASP A 113 3.807 7.767 18.679 1.00 1.18 O ATOM 1794 OD2 ASP A 113 4.960 9.509 18.030 1.00 1.56 O ATOM 0 H ASP A 113 2.852 8.149 14.074 1.00 0.64 H new ATOM 0 HA ASP A 113 1.721 8.543 16.694 1.00 0.72 H new ATOM 0 HB2 ASP A 113 3.772 7.195 16.180 1.00 0.78 H new ATOM 0 HB3 ASP A 113 4.588 8.665 15.684 1.00 0.78 H new ATOM 1799 N ALA A 114 2.736 11.045 14.918 1.00 0.68 N ATOM 1800 CA ALA A 114 2.897 12.489 14.851 1.00 0.76 C ATOM 1801 C ALA A 114 1.627 13.171 14.352 1.00 0.86 C ATOM 1802 O ALA A 114 1.310 14.285 14.762 1.00 1.09 O ATOM 1803 CB ALA A 114 4.071 12.840 13.949 1.00 0.82 C ATOM 0 H ALA A 114 2.771 10.575 14.013 1.00 0.68 H new ATOM 0 HA ALA A 114 3.095 12.852 15.859 1.00 0.76 H new ATOM 0 HB1 ALA A 114 4.184 13.923 13.904 1.00 0.82 H new ATOM 0 HB2 ALA A 114 4.983 12.396 14.349 1.00 0.82 H new ATOM 0 HB3 ALA A 114 3.888 12.453 12.947 1.00 0.82 H new ATOM 1809 N ASP A 115 0.916 12.496 13.460 1.00 0.85 N ATOM 1810 CA ASP A 115 -0.294 13.041 12.854 1.00 1.01 C ATOM 1811 C ASP A 115 -1.408 13.177 13.881 1.00 1.32 C ATOM 1812 O ASP A 115 -1.764 14.323 14.228 1.00 2.16 O ATOM 1813 CB ASP A 115 -0.751 12.146 11.700 1.00 1.00 C ATOM 1814 CG ASP A 115 -1.944 12.715 10.959 1.00 1.24 C ATOM 1815 OD1 ASP A 115 -1.766 13.679 10.190 1.00 1.51 O ATOM 1816 OD2 ASP A 115 -3.066 12.188 11.126 1.00 1.39 O ATOM 1817 OXT ASP A 115 -1.909 12.136 14.359 1.00 1.44 O ATOM 0 H ASP A 115 1.159 11.560 13.136 1.00 0.85 H new ATOM 0 HA ASP A 115 -0.064 14.035 12.469 1.00 1.01 H new ATOM 0 HB2 ASP A 115 0.075 12.010 11.002 1.00 1.00 H new ATOM 0 HB3 ASP A 115 -1.006 11.160 12.089 1.00 1.00 H new TER 1822 ASP A 115 ATOM 1823 N GLY B 242 -1.119 7.705 18.706 1.00 25.39 N ATOM 1824 CA GLY B 242 -1.348 7.354 17.287 1.00 25.32 C ATOM 1825 C GLY B 242 -2.078 6.038 17.144 1.00 24.90 C ATOM 1826 O GLY B 242 -2.688 5.557 18.101 1.00 24.93 O ATOM 0 HA2 GLY B 242 -1.925 8.144 16.806 1.00 25.32 H new ATOM 0 HA3 GLY B 242 -0.391 7.297 16.768 1.00 25.32 H new ATOM 1832 N GLY B 243 -2.011 5.450 15.957 1.00 24.60 N ATOM 1833 CA GLY B 243 -2.677 4.187 15.718 1.00 24.30 C ATOM 1834 C GLY B 243 -4.152 4.360 15.428 1.00 23.95 C ATOM 1835 O GLY B 243 -4.606 5.466 15.116 1.00 23.75 O ATOM 0 H GLY B 243 -1.506 5.827 15.155 1.00 24.60 H new ATOM 0 HA2 GLY B 243 -2.201 3.681 14.878 1.00 24.30 H new ATOM 0 HA3 GLY B 243 -2.554 3.543 16.589 1.00 24.30 H new ATOM 1839 N GLY B 244 -4.900 3.277 15.523 1.00 23.97 N ATOM 1840 CA GLY B 244 -6.325 3.329 15.284 1.00 23.78 C ATOM 1841 C GLY B 244 -7.106 2.690 16.412 1.00 23.46 C ATOM 1842 O GLY B 244 -6.616 2.600 17.539 1.00 23.62 O ATOM 0 H GLY B 244 -4.543 2.353 15.764 1.00 23.97 H new ATOM 0 HA2 GLY B 244 -6.637 4.367 15.168 1.00 23.78 H new ATOM 0 HA3 GLY B 244 -6.556 2.820 14.348 1.00 23.78 H new ATOM 1846 N GLY B 245 -8.323 2.255 16.118 1.00 23.13 N ATOM 1847 CA GLY B 245 -9.122 1.563 17.110 1.00 22.92 C ATOM 1848 C GLY B 245 -9.990 2.503 17.919 1.00 22.70 C ATOM 1849 O GLY B 245 -10.817 2.060 18.718 1.00 22.72 O ATOM 0 H GLY B 245 -8.772 2.369 15.209 1.00 23.13 H new ATOM 0 HA2 GLY B 245 -9.755 0.828 16.613 1.00 22.92 H new ATOM 0 HA3 GLY B 245 -8.463 1.014 17.783 1.00 22.92 H new ATOM 1853 N TYR B 246 -9.794 3.801 17.725 1.00 22.59 N ATOM 1854 CA TYR B 246 -10.608 4.804 18.399 1.00 22.48 C ATOM 1855 C TYR B 246 -11.951 4.927 17.697 1.00 22.02 C ATOM 1856 O TYR B 246 -12.990 5.159 18.320 1.00 22.35 O ATOM 1857 CB TYR B 246 -9.885 6.156 18.419 1.00 23.22 C ATOM 1858 CG TYR B 246 -10.674 7.262 19.084 1.00 23.55 C ATOM 1859 CD1 TYR B 246 -10.692 7.392 20.466 1.00 23.87 C ATOM 1860 CD2 TYR B 246 -11.390 8.182 18.329 1.00 23.67 C ATOM 1861 CE1 TYR B 246 -11.400 8.406 21.077 1.00 24.29 C ATOM 1862 CE2 TYR B 246 -12.103 9.198 18.934 1.00 24.09 C ATOM 1863 CZ TYR B 246 -12.140 9.283 20.303 1.00 24.40 C ATOM 1864 OH TYR B 246 -12.807 10.324 20.913 1.00 24.92 O ATOM 0 H TYR B 246 -9.079 4.184 17.107 1.00 22.59 H new ATOM 0 HA TYR B 246 -10.774 4.494 19.431 1.00 22.48 H new ATOM 0 HB2 TYR B 246 -8.933 6.040 18.937 1.00 23.22 H new ATOM 0 HB3 TYR B 246 -9.657 6.451 17.395 1.00 23.22 H new ATOM 0 HD1 TYR B 246 -10.143 6.688 21.073 1.00 23.87 H new ATOM 0 HD2 TYR B 246 -11.389 8.101 17.252 1.00 23.67 H new ATOM 0 HE1 TYR B 246 -11.377 8.515 22.151 1.00 24.29 H new ATOM 0 HE2 TYR B 246 -12.630 9.923 18.332 1.00 24.09 H new ATOM 0 HH TYR B 246 -13.280 10.851 20.236 1.00 24.92 H new ATOM 1874 N ASP B 247 -11.910 4.754 16.396 1.00 21.35 N ATOM 1875 CA ASP B 247 -13.107 4.762 15.576 1.00 20.95 C ATOM 1876 C ASP B 247 -13.164 3.472 14.778 1.00 20.12 C ATOM 1877 O ASP B 247 -12.129 2.859 14.507 1.00 19.68 O ATOM 1878 CB ASP B 247 -13.129 5.981 14.643 1.00 20.82 C ATOM 1879 CG ASP B 247 -12.042 5.950 13.585 1.00 21.19 C ATOM 1880 OD1 ASP B 247 -10.882 6.297 13.904 1.00 21.36 O ATOM 1881 OD2 ASP B 247 -12.347 5.599 12.427 1.00 21.40 O ATOM 0 H ASP B 247 -11.047 4.603 15.873 1.00 21.35 H new ATOM 0 HA ASP B 247 -13.983 4.832 16.220 1.00 20.95 H new ATOM 0 HB2 ASP B 247 -14.101 6.037 14.153 1.00 20.82 H new ATOM 0 HB3 ASP B 247 -13.020 6.887 15.239 1.00 20.82 H new ATOM 1886 N VAL B 248 -14.365 3.046 14.426 1.00 20.03 N ATOM 1887 CA VAL B 248 -14.541 1.793 13.711 1.00 19.37 C ATOM 1888 C VAL B 248 -14.178 1.970 12.242 1.00 18.15 C ATOM 1889 O VAL B 248 -15.047 2.098 11.379 1.00 17.73 O ATOM 1890 CB VAL B 248 -15.987 1.263 13.826 1.00 19.95 C ATOM 1891 CG1 VAL B 248 -16.093 -0.146 13.257 1.00 20.02 C ATOM 1892 CG2 VAL B 248 -16.456 1.291 15.272 1.00 20.37 C ATOM 0 H VAL B 248 -15.231 3.548 14.623 1.00 20.03 H new ATOM 0 HA VAL B 248 -13.876 1.061 14.169 1.00 19.37 H new ATOM 0 HB VAL B 248 -16.635 1.917 13.242 1.00 19.95 H new ATOM 0 HG11 VAL B 248 -17.120 -0.499 13.349 1.00 20.02 H new ATOM 0 HG12 VAL B 248 -15.805 -0.137 12.206 1.00 20.02 H new ATOM 0 HG13 VAL B 248 -15.430 -0.812 13.809 1.00 20.02 H new ATOM 0 HG21 VAL B 248 -17.477 0.914 15.331 1.00 20.37 H new ATOM 0 HG22 VAL B 248 -15.802 0.665 15.879 1.00 20.37 H new ATOM 0 HG23 VAL B 248 -16.426 2.315 15.645 1.00 20.37 H new ATOM 1902 N GLU B 249 -12.885 2.018 11.969 1.00 17.68 N ATOM 1903 CA GLU B 249 -12.402 2.138 10.609 1.00 16.58 C ATOM 1904 C GLU B 249 -11.798 0.825 10.147 1.00 15.78 C ATOM 1905 O GLU B 249 -10.789 0.369 10.685 1.00 15.94 O ATOM 1906 CB GLU B 249 -11.357 3.245 10.493 1.00 16.66 C ATOM 1907 CG GLU B 249 -10.895 3.475 9.063 1.00 15.82 C ATOM 1908 CD GLU B 249 -9.717 4.414 8.975 1.00 16.11 C ATOM 1909 OE1 GLU B 249 -8.627 4.046 9.460 1.00 16.16 O ATOM 1910 OE2 GLU B 249 -9.872 5.520 8.419 1.00 16.39 O ATOM 0 H GLU B 249 -12.151 1.975 12.676 1.00 17.68 H new ATOM 0 HA GLU B 249 -13.252 2.391 9.975 1.00 16.58 H new ATOM 0 HB2 GLU B 249 -11.772 4.172 10.889 1.00 16.66 H new ATOM 0 HB3 GLU B 249 -10.496 2.991 11.111 1.00 16.66 H new ATOM 0 HG2 GLU B 249 -10.626 2.519 8.614 1.00 15.82 H new ATOM 0 HG3 GLU B 249 -11.722 3.880 8.479 1.00 15.82 H new ATOM 1917 N MET B 250 -12.423 0.219 9.160 1.00 15.05 N ATOM 1918 CA MET B 250 -11.903 -0.997 8.561 1.00 14.34 C ATOM 1919 C MET B 250 -12.088 -0.938 7.054 1.00 13.28 C ATOM 1920 O MET B 250 -12.009 -1.952 6.363 1.00 12.74 O ATOM 1921 CB MET B 250 -12.602 -2.227 9.145 1.00 14.93 C ATOM 1922 CG MET B 250 -14.098 -2.274 8.876 1.00 15.52 C ATOM 1923 SD MET B 250 -14.910 -3.649 9.718 1.00 16.05 S ATOM 1924 CE MET B 250 -13.949 -5.034 9.112 1.00 16.80 C ATOM 0 H MET B 250 -13.297 0.549 8.752 1.00 15.05 H new ATOM 0 HA MET B 250 -10.840 -1.080 8.785 1.00 14.34 H new ATOM 0 HB2 MET B 250 -12.141 -3.124 8.733 1.00 14.93 H new ATOM 0 HB3 MET B 250 -12.436 -2.249 10.222 1.00 14.93 H new ATOM 0 HG2 MET B 250 -14.551 -1.337 9.198 1.00 15.52 H new ATOM 0 HG3 MET B 250 -14.268 -2.358 7.803 1.00 15.52 H new ATOM 0 HE1 MET B 250 -14.601 -5.896 8.973 1.00 16.80 H new ATOM 0 HE2 MET B 250 -13.489 -4.769 8.160 1.00 16.80 H new ATOM 0 HE3 MET B 250 -13.171 -5.281 9.834 1.00 16.80 H new ATOM 1934 N GLU B 251 -12.327 0.272 6.561 1.00 13.13 N ATOM 1935 CA GLU B 251 -12.572 0.503 5.146 1.00 12.32 C ATOM 1936 C GLU B 251 -11.357 0.108 4.318 1.00 11.39 C ATOM 1937 O GLU B 251 -10.224 0.187 4.794 1.00 11.50 O ATOM 1938 CB GLU B 251 -12.915 1.977 4.912 1.00 12.74 C ATOM 1939 CG GLU B 251 -13.395 2.287 3.504 1.00 12.69 C ATOM 1940 CD GLU B 251 -13.797 3.736 3.336 1.00 13.07 C ATOM 1941 OE1 GLU B 251 -14.898 4.107 3.793 1.00 13.35 O ATOM 1942 OE2 GLU B 251 -13.014 4.510 2.740 1.00 13.21 O ATOM 0 H GLU B 251 -12.356 1.117 7.131 1.00 13.13 H new ATOM 0 HA GLU B 251 -13.414 -0.114 4.833 1.00 12.32 H new ATOM 0 HB2 GLU B 251 -13.687 2.276 5.621 1.00 12.74 H new ATOM 0 HB3 GLU B 251 -12.034 2.582 5.125 1.00 12.74 H new ATOM 0 HG2 GLU B 251 -12.604 2.048 2.793 1.00 12.69 H new ATOM 0 HG3 GLU B 251 -14.244 1.647 3.264 1.00 12.69 H new ATOM 1949 N SER B 252 -11.619 -0.357 3.098 1.00 10.65 N ATOM 1950 CA SER B 252 -10.583 -0.773 2.154 1.00 9.85 C ATOM 1951 C SER B 252 -10.036 -2.155 2.515 1.00 8.78 C ATOM 1952 O SER B 252 -9.428 -2.826 1.686 1.00 7.90 O ATOM 1953 CB SER B 252 -9.448 0.262 2.072 1.00 10.04 C ATOM 1954 OG SER B 252 -8.537 -0.050 1.031 1.00 10.66 O ATOM 0 H SER B 252 -12.566 -0.457 2.733 1.00 10.65 H new ATOM 0 HA SER B 252 -11.043 -0.837 1.168 1.00 9.85 H new ATOM 0 HB2 SER B 252 -9.869 1.253 1.904 1.00 10.04 H new ATOM 0 HB3 SER B 252 -8.917 0.298 3.023 1.00 10.04 H new ATOM 0 HG SER B 252 -7.828 0.626 1.003 1.00 10.66 H new ATOM 1960 N GLU B 253 -10.246 -2.585 3.748 1.00 9.06 N ATOM 1961 CA GLU B 253 -9.853 -3.921 4.150 1.00 8.41 C ATOM 1962 C GLU B 253 -10.911 -4.923 3.706 1.00 7.74 C ATOM 1963 O GLU B 253 -10.616 -5.895 3.009 1.00 6.93 O ATOM 1964 CB GLU B 253 -9.665 -4.000 5.664 1.00 9.32 C ATOM 1965 CG GLU B 253 -9.176 -5.356 6.130 1.00 9.85 C ATOM 1966 CD GLU B 253 -9.343 -5.558 7.618 1.00 10.54 C ATOM 1967 OE1 GLU B 253 -8.524 -5.010 8.385 1.00 11.03 O ATOM 1968 OE2 GLU B 253 -10.294 -6.256 8.030 1.00 10.75 O ATOM 0 H GLU B 253 -10.684 -2.030 4.483 1.00 9.06 H new ATOM 0 HA GLU B 253 -8.902 -4.160 3.674 1.00 8.41 H new ATOM 0 HB2 GLU B 253 -8.953 -3.236 5.976 1.00 9.32 H new ATOM 0 HB3 GLU B 253 -10.612 -3.773 6.154 1.00 9.32 H new ATOM 0 HG2 GLU B 253 -9.721 -6.136 5.598 1.00 9.85 H new ATOM 0 HG3 GLU B 253 -8.124 -5.467 5.868 1.00 9.85 H new ATOM 1975 N GLU B 254 -12.145 -4.665 4.114 1.00 8.32 N ATOM 1976 CA GLU B 254 -13.265 -5.550 3.827 1.00 8.15 C ATOM 1977 C GLU B 254 -13.794 -5.357 2.408 1.00 7.31 C ATOM 1978 O GLU B 254 -14.028 -6.329 1.690 1.00 6.99 O ATOM 1979 CB GLU B 254 -14.386 -5.351 4.857 1.00 9.33 C ATOM 1980 CG GLU B 254 -14.323 -4.034 5.626 1.00 10.25 C ATOM 1981 CD GLU B 254 -14.638 -2.813 4.782 1.00 10.57 C ATOM 1982 OE1 GLU B 254 -13.760 -2.376 4.008 1.00 10.94 O ATOM 1983 OE2 GLU B 254 -15.765 -2.285 4.897 1.00 10.61 O ATOM 0 H GLU B 254 -12.398 -3.837 4.653 1.00 8.32 H new ATOM 0 HA GLU B 254 -12.900 -6.575 3.900 1.00 8.15 H new ATOM 0 HB2 GLU B 254 -15.346 -5.410 4.344 1.00 9.33 H new ATOM 0 HB3 GLU B 254 -14.355 -6.174 5.571 1.00 9.33 H new ATOM 0 HG2 GLU B 254 -15.024 -4.078 6.460 1.00 10.25 H new ATOM 0 HG3 GLU B 254 -13.326 -3.921 6.053 1.00 10.25 H new ATOM 1990 N GLU B 255 -13.982 -4.104 2.010 1.00 7.27 N ATOM 1991 CA GLU B 255 -14.520 -3.784 0.691 1.00 6.83 C ATOM 1992 C GLU B 255 -13.569 -4.220 -0.418 1.00 5.68 C ATOM 1993 O GLU B 255 -13.977 -4.408 -1.563 1.00 5.42 O ATOM 1994 CB GLU B 255 -14.818 -2.290 0.584 1.00 7.52 C ATOM 1995 CG GLU B 255 -15.917 -1.827 1.527 1.00 8.71 C ATOM 1996 CD GLU B 255 -17.240 -2.522 1.265 1.00 9.38 C ATOM 1997 OE1 GLU B 255 -17.459 -3.618 1.818 1.00 9.65 O ATOM 1998 OE2 GLU B 255 -18.073 -1.975 0.510 1.00 9.82 O ATOM 0 H GLU B 255 -13.769 -3.289 2.585 1.00 7.27 H new ATOM 0 HA GLU B 255 -15.451 -4.337 0.567 1.00 6.83 H new ATOM 0 HB2 GLU B 255 -13.908 -1.729 0.795 1.00 7.52 H new ATOM 0 HB3 GLU B 255 -15.106 -2.057 -0.441 1.00 7.52 H new ATOM 0 HG2 GLU B 255 -15.610 -2.013 2.556 1.00 8.71 H new ATOM 0 HG3 GLU B 255 -16.050 -0.750 1.424 1.00 8.71 H new ATOM 2005 N SER B 256 -12.303 -4.379 -0.076 1.00 5.35 N ATOM 2006 CA SER B 256 -11.330 -4.916 -1.006 1.00 4.55 C ATOM 2007 C SER B 256 -11.161 -6.414 -0.765 1.00 4.09 C ATOM 2008 O SER B 256 -10.142 -6.870 -0.239 1.00 4.17 O ATOM 2009 CB SER B 256 -10.000 -4.190 -0.853 1.00 4.73 C ATOM 2010 OG SER B 256 -10.130 -2.808 -1.157 1.00 5.13 O ATOM 0 H SER B 256 -11.925 -4.143 0.842 1.00 5.35 H new ATOM 0 HA SER B 256 -11.684 -4.764 -2.026 1.00 4.55 H new ATOM 0 HB2 SER B 256 -9.634 -4.308 0.167 1.00 4.73 H new ATOM 0 HB3 SER B 256 -9.258 -4.642 -1.512 1.00 4.73 H new ATOM 0 HG SER B 256 -9.970 -2.279 -0.348 1.00 5.13 H new ATOM 2016 N ASP B 257 -12.180 -7.168 -1.155 1.00 4.14 N ATOM 2017 CA ASP B 257 -12.240 -8.600 -0.889 1.00 4.42 C ATOM 2018 C ASP B 257 -11.264 -9.385 -1.759 1.00 4.11 C ATOM 2019 O ASP B 257 -10.577 -10.285 -1.271 1.00 4.54 O ATOM 2020 CB ASP B 257 -13.669 -9.118 -1.096 1.00 5.14 C ATOM 2021 CG ASP B 257 -14.256 -8.734 -2.441 1.00 5.67 C ATOM 2022 OD1 ASP B 257 -14.031 -9.468 -3.426 1.00 5.89 O ATOM 2023 OD2 ASP B 257 -14.949 -7.695 -2.515 1.00 6.20 O ATOM 0 H ASP B 257 -12.987 -6.806 -1.663 1.00 4.14 H new ATOM 0 HA ASP B 257 -11.947 -8.752 0.150 1.00 4.42 H new ATOM 0 HB2 ASP B 257 -13.672 -10.204 -1.003 1.00 5.14 H new ATOM 0 HB3 ASP B 257 -14.308 -8.728 -0.304 1.00 5.14 H new ATOM 2028 N ASP B 258 -11.201 -9.045 -3.041 1.00 3.83 N ATOM 2029 CA ASP B 258 -10.315 -9.735 -3.976 1.00 4.02 C ATOM 2030 C ASP B 258 -8.865 -9.360 -3.704 1.00 3.23 C ATOM 2031 O ASP B 258 -7.943 -10.119 -4.004 1.00 3.61 O ATOM 2032 CB ASP B 258 -10.691 -9.386 -5.419 1.00 4.65 C ATOM 2033 CG ASP B 258 -9.862 -10.135 -6.444 1.00 5.54 C ATOM 2034 OD1 ASP B 258 -10.243 -11.269 -6.806 1.00 5.91 O ATOM 2035 OD2 ASP B 258 -8.842 -9.589 -6.912 1.00 6.14 O ATOM 0 H ASP B 258 -11.752 -8.296 -3.459 1.00 3.83 H new ATOM 0 HA ASP B 258 -10.429 -10.810 -3.836 1.00 4.02 H new ATOM 0 HB2 ASP B 258 -11.746 -9.610 -5.578 1.00 4.65 H new ATOM 0 HB3 ASP B 258 -10.567 -8.314 -5.572 1.00 4.65 H new ATOM 2040 N ASP B 259 -8.686 -8.183 -3.123 1.00 2.42 N ATOM 2041 CA ASP B 259 -7.370 -7.696 -2.732 1.00 1.79 C ATOM 2042 C ASP B 259 -6.834 -8.564 -1.601 1.00 1.13 C ATOM 2043 O ASP B 259 -5.899 -9.337 -1.800 1.00 1.31 O ATOM 2044 CB ASP B 259 -7.464 -6.236 -2.280 1.00 1.99 C ATOM 2045 CG ASP B 259 -8.141 -5.347 -3.308 1.00 2.65 C ATOM 2046 OD1 ASP B 259 -9.354 -5.517 -3.548 1.00 3.32 O ATOM 2047 OD2 ASP B 259 -7.473 -4.460 -3.863 1.00 3.05 O ATOM 0 H ASP B 259 -9.447 -7.539 -2.909 1.00 2.42 H new ATOM 0 HA ASP B 259 -6.692 -7.751 -3.583 1.00 1.79 H new ATOM 0 HB2 ASP B 259 -8.016 -6.185 -1.342 1.00 1.99 H new ATOM 0 HB3 ASP B 259 -6.462 -5.856 -2.081 1.00 1.99 H new ATOM 2052 N GLY B 260 -7.427 -8.449 -0.423 1.00 0.78 N ATOM 2053 CA GLY B 260 -7.101 -9.373 0.642 1.00 0.59 C ATOM 2054 C GLY B 260 -5.793 -9.080 1.358 1.00 0.57 C ATOM 2055 O GLY B 260 -5.017 -9.996 1.627 1.00 0.84 O ATOM 0 H GLY B 260 -8.121 -7.740 -0.187 1.00 0.78 H new ATOM 0 HA2 GLY B 260 -7.910 -9.364 1.373 1.00 0.59 H new ATOM 0 HA3 GLY B 260 -7.056 -10.381 0.229 1.00 0.59 H new ATOM 2059 N PHE B 261 -5.529 -7.813 1.653 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.336 -7.433 2.398 1.00 0.48 C ATOM 2061 C PHE B 261 -4.747 -6.699 3.667 1.00 0.66 C ATOM 2062 O PHE B 261 -5.791 -6.040 3.697 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.420 -6.530 1.561 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.152 -7.029 0.171 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.152 -8.381 -0.115 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -2.927 -6.138 -0.856 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -2.932 -8.833 -1.395 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -2.708 -6.586 -2.140 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.713 -7.933 -2.411 1.00 0.62 C ATOM 0 H PHE B 261 -6.126 -7.030 1.387 1.00 0.48 H new ATOM 0 HA PHE B 261 -3.785 -8.340 2.648 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.869 -5.539 1.497 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.469 -6.416 2.082 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.327 -9.093 0.678 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -2.922 -5.077 -0.652 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -2.931 -9.893 -1.602 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -2.532 -5.877 -2.935 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.545 -8.284 -3.419 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.931 -6.803 4.700 1.00 0.55 N ATOM 2080 CA VAL B 262 -4.240 -6.193 5.983 1.00 0.67 C ATOM 2081 C VAL B 262 -3.007 -5.480 6.538 1.00 0.54 C ATOM 2082 O VAL B 262 -1.875 -5.832 6.195 1.00 0.50 O ATOM 2083 CB VAL B 262 -4.726 -7.267 6.988 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -3.598 -8.216 7.366 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -5.337 -6.632 8.230 1.00 1.14 C ATOM 0 H VAL B 262 -3.044 -7.307 4.676 1.00 0.55 H new ATOM 0 HA VAL B 262 -5.036 -5.463 5.837 1.00 0.67 H new ATOM 0 HB VAL B 262 -5.505 -7.847 6.493 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -3.969 -8.959 8.072 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -3.230 -8.718 6.471 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -2.786 -7.652 7.825 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -5.667 -7.414 8.914 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -4.592 -6.009 8.724 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -6.190 -6.018 7.942 1.00 1.14 H new ATOM 2095 N GLU B 263 -3.224 -4.456 7.353 1.00 0.57 N ATOM 2096 CA GLU B 263 -2.129 -3.813 8.062 1.00 0.55 C ATOM 2097 C GLU B 263 -1.743 -4.666 9.261 1.00 0.56 C ATOM 2098 O GLU B 263 -2.596 -5.324 9.860 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.514 -2.400 8.523 1.00 0.73 C ATOM 2100 CG GLU B 263 -3.731 -2.363 9.434 1.00 1.21 C ATOM 2101 CD GLU B 263 -3.931 -1.018 10.101 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -3.072 -0.612 10.914 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -4.962 -0.367 9.836 1.00 2.20 O ATOM 0 H GLU B 263 -4.144 -4.056 7.538 1.00 0.57 H new ATOM 0 HA GLU B 263 -1.282 -3.720 7.383 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -1.667 -1.955 9.045 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.709 -1.782 7.646 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -4.620 -2.610 8.854 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -3.627 -3.131 10.201 1.00 1.21 H new ATOM 2110 N VAL B 264 -0.467 -4.676 9.604 1.00 0.65 N ATOM 2111 CA VAL B 264 0.000 -5.476 10.726 1.00 0.82 C ATOM 2112 C VAL B 264 0.094 -4.619 11.982 1.00 1.08 C ATOM 2113 O VAL B 264 1.019 -3.820 12.141 1.00 1.31 O ATOM 2114 CB VAL B 264 1.362 -6.141 10.427 1.00 1.01 C ATOM 2115 CG1 VAL B 264 1.859 -6.925 11.636 1.00 1.41 C ATOM 2116 CG2 VAL B 264 1.244 -7.054 9.215 1.00 1.31 C ATOM 0 H VAL B 264 0.261 -4.144 9.127 1.00 0.65 H new ATOM 0 HA VAL B 264 -0.726 -6.272 10.890 1.00 0.82 H new ATOM 0 HB VAL B 264 2.088 -5.357 10.209 1.00 1.01 H new ATOM 0 HG11 VAL B 264 2.819 -7.384 11.402 1.00 1.41 H new ATOM 0 HG12 VAL B 264 1.977 -6.250 12.484 1.00 1.41 H new ATOM 0 HG13 VAL B 264 1.137 -7.702 11.888 1.00 1.41 H new ATOM 0 HG21 VAL B 264 2.210 -7.517 9.013 1.00 1.31 H new ATOM 0 HG22 VAL B 264 0.504 -7.829 9.414 1.00 1.31 H new ATOM 0 HG23 VAL B 264 0.934 -6.470 8.348 1.00 1.31 H new ATOM 2126 N ASP B 265 -0.877 -4.786 12.866 1.00 1.21 N ATOM 2127 CA ASP B 265 -0.952 -3.993 14.082 1.00 1.59 C ATOM 2128 C ASP B 265 -1.733 -4.743 15.148 1.00 1.83 C ATOM 2129 O ASP B 265 -1.102 -5.275 16.086 1.00 2.02 O ATOM 2130 CB ASP B 265 -1.611 -2.639 13.801 1.00 1.75 C ATOM 2131 CG ASP B 265 -1.731 -1.775 15.042 1.00 2.35 C ATOM 2132 OD1 ASP B 265 -0.689 -1.335 15.571 1.00 3.04 O ATOM 2133 OD2 ASP B 265 -2.872 -1.509 15.478 1.00 2.67 O ATOM 2134 OXT ASP B 265 -2.973 -4.822 15.031 1.00 2.32 O ATOM 0 H ASP B 265 -1.628 -5.468 12.763 1.00 1.21 H new ATOM 0 HA ASP B 265 0.061 -3.817 14.443 1.00 1.59 H new ATOM 0 HB2 ASP B 265 -1.030 -2.107 13.048 1.00 1.75 H new ATOM 0 HB3 ASP B 265 -2.603 -2.803 13.381 1.00 1.75 H new TER 2139 ASP B 265